BindingDB Reactant_set_id	Ligand SMILES	Ligand InChI	Ligand InChI Key	BindingDB MonomerID	BindingDB Ligand Name	Target Name	Target Source Organism According to Curator or DataSource	Ki (nM)	IC50 (nM)	Kd (nM)	EC50 (nM)	kon (M-1-s-1)	koff (s-1)	pH	Temp (C)	Curation/DataSource	Article DOI	BindingDB Entry DOI	PMID	PubChem AID	Patent Number	Authors	Institution	Link to Ligand in BindingDB	Link to Target in BindingDB	Link to Ligand-Target Pair in BindingDB	Ligand HET ID in PDB	PDB ID(s) for Ligand-Target Complex	PubChem CID of Ligand	PubChem SID of Ligand	ChEBI ID of Ligand	ChEMBL ID of Ligand	DrugBank ID of Ligand	IUPHAR_GRAC ID of Ligand	KEGG ID of Ligand	ZINC ID of Ligand	Number of Protein Chains in Target (>1 implies a multichain complex)	BindingDB Target Chain Sequence	PDB ID(s) of Target Chain	UniProt (SwissProt) Recommended Name of Target Chain	UniProt (SwissProt) Entry Name of Target Chain	UniProt (SwissProt) Primary ID of Target Chain	UniProt (SwissProt) Secondary ID(s) of Target Chain	UniProt (SwissProt) Alternative ID(s) of Target Chain	UniProt (TrEMBL) Submitted Name of Target Chain	UniProt (TrEMBL) Entry Name of Target Chain	UniProt (TrEMBL) Primary ID of Target Chain	UniProt (TrEMBL) Secondary ID(s) of Target Chain	UniProt (TrEMBL) Alternative ID(s) of Target Chain
18365	CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	7533	(2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol::(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol::(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol::(R)-Roscovitine::2,6,9-Trisubstituted purine deriv. 28::CHEMBL14762::CYC-202::Roscovitine::cid_160355	Casein kinase I isoform alpha	Rattus norvegicus		 17000						30.00 C	Curated from the literature by BindingDB	10.1016/j.bmcl.2004.01.050	10.7270/Q2BZ648W	15026054	aid1796542		Gompel, M; Leost, M; De Kier Joffe, EB; Puricelli, L; Franco, LH; Palermo, J; Meijer, L	CNRS	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7533	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1178&target=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7533&enzyme=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	RRC	3DDQ,1YGK,2A4L,1UNL	160355	11108321		CHEMBL14762		6035		ZINC01649340	1	MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQGKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGF	5FQD	Casein kinase I isoform alpha	KC1A_RAT	P97633	P97634						
18366	Nc1nccc(n1)-c1c[nH]c2cc(Br)cc(O)c12	InChI=1S/C12H9BrN4O/c13-6-3-9-11(10(18)4-6)7(5-16-9)8-1-2-15-12(14)17-8/h1-5,16,18H,(H2,14,15,17)	PYQFQGXOARMGAQ-UHFFFAOYSA-N	10839	3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol::Meridianin B	Casein kinase I isoform alpha	Rattus norvegicus		 1000						30.00 C	Curated from the literature by BindingDB	10.1016/j.bmcl.2004.01.050	10.7270/Q2BZ648W	15026054	aid1796542		Gompel, M; Leost, M; De Kier Joffe, EB; Puricelli, L; Franco, LH; Palermo, J; Meijer, L	CNRS	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10839	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1178&target=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10839&enzyme=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search			10380356	46511416						ZINC14589170	1	MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQGKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGF	5FQD	Casein kinase I isoform alpha	KC1A_RAT	P97633	P97634						
18367	Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12	InChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)	PKQJCYXKRNGUKQ-UHFFFAOYSA-N	10840	4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine::Meridianin C	Casein kinase I isoform alpha	Rattus norvegicus		 30000						30.00 C	Curated from the literature by BindingDB	10.1016/j.bmcl.2004.01.050	10.7270/Q2BZ648W	15026054	aid1796542		Gompel, M; Leost, M; De Kier Joffe, EB; Puricelli, L; Franco, LH; Palermo, J; Meijer, L	CNRS	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10840	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1178&target=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10840&enzyme=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search			10017019	46511417						ZINC14589172	1	MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQGKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGF	5FQD	Casein kinase I isoform alpha	KC1A_RAT	P97633	P97634						
18368	Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12	InChI=1S/C12H9BrN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)	VBPYLWZBNRFLEM-UHFFFAOYSA-N	10841	4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine::Meridianin D	Casein kinase I isoform alpha	Rattus norvegicus		 100000						30.00 C	Curated from the literature by BindingDB	10.1016/j.bmcl.2004.01.050	10.7270/Q2BZ648W	15026054	aid1796542		Gompel, M; Leost, M; De Kier Joffe, EB; Puricelli, L; Franco, LH; Palermo, J; Meijer, L	CNRS	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10841	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1178&target=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10841&enzyme=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search			401171	46511418						ZINC01659302	1	MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQGKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGF	5FQD	Casein kinase I isoform alpha	KC1A_RAT	P97633	P97634						
18369	Nc1nccc(n1)-c1c[nH]c2c(Br)ccc(O)c12	InChI=1S/C12H9BrN4O/c13-7-1-2-9(18)10-6(5-16-11(7)10)8-3-4-15-12(14)17-8/h1-5,16,18H,(H2,14,15,17)	USBKPWRTJAXTBS-UHFFFAOYSA-N	10842	3-(2-aminopyrimidin-4-yl)-7-bromo-1H-indol-4-ol::Meridianin E	Casein kinase I isoform alpha	Rattus norvegicus		 400						30.00 C	Curated from the literature by BindingDB	10.1016/j.bmcl.2004.01.050	10.7270/Q2BZ648W	15026054	aid1796542		Gompel, M; Leost, M; De Kier Joffe, EB; Puricelli, L; Franco, LH; Palermo, J; Meijer, L	CNRS	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10842	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1178&target=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10842&enzyme=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search			9995236	46511419						ZINC14589171	1	MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQGKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGF	5FQD	Casein kinase I isoform alpha	KC1A_RAT	P97633	P97634						
18570	CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	7533	(2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol::(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol::(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol::(R)-Roscovitine::2,6,9-Trisubstituted purine deriv. 28::CHEMBL14762::CYC-202::Roscovitine::cid_160355	Casein kinase I isoform alpha	Rattus norvegicus		 100000					7.2	30.00 C	Curated from the literature by BindingDB	10.1074/jbc.M500805200	10.7270/Q2Q81B9F	15985434	aid1796565		Tang, L; Li, MH; Cao, P; Wang, F; Chang, WR; Bach, S; Reinhardt, J; Ferandin, Y; Galons, H; Wan, Y; Gray, N; Meijer, L; Jiang, T; Liang, DC	Chinese Academy of Sciences	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7533	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1178&target=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7533&enzyme=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	RRC	3DDQ,1YGK,2A4L,1UNL	160355	11108321		CHEMBL14762		6035		ZINC01649340	1	MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQGKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGF	5FQD	Casein kinase I isoform alpha	KC1A_RAT	P97633	P97634						
18571	CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1	InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1	YPYWONAECUVKHY-MRXNPFEDSA-N	10909	(2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)butan-1-ol::N6-methyl-(R)-roscovitine::R-2-[6-(Benzyl-methyl-amino)-9-isopropyl-9H-purin-2-ylamino]-butan-1-ol	Casein kinase I isoform alpha	Rattus norvegicus		>1000000					7.2	30.00 C	Curated from the literature by BindingDB	10.1074/jbc.M500805200	10.7270/Q2Q81B9F	15985434	aid1796565		Tang, L; Li, MH; Cao, P; Wang, F; Chang, WR; Bach, S; Reinhardt, J; Ferandin, Y; Galons, H; Wan, Y; Gray, N; Meijer, L; Jiang, T; Liang, DC	Chinese Academy of Sciences	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10909	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1178&target=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10909&enzyme=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	RMC	1YGJ	5289296	46511479			DB04776			ZINC12504508	1	MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQGKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGF	5FQD	Casein kinase I isoform alpha	KC1A_RAT	P97633	P97634						
18572	CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1	InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1	HGADNQLEUZSUEJ-OAHLLOKOSA-N	10910	(2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol::O6-(R)-roscovitine::R-2-(6-Benzyloxy-9-isopropyl-9H-purin-2-yl-amino)-butan-1-ol	Casein kinase I isoform alpha	Rattus norvegicus		>1000000					7.2	30.00 C	Curated from the literature by BindingDB	10.1074/jbc.M500805200	10.7270/Q2Q81B9F	15985434	aid1796565		Tang, L; Li, MH; Cao, P; Wang, F; Chang, WR; Bach, S; Reinhardt, J; Ferandin, Y; Galons, H; Wan, Y; Gray, N; Meijer, L; Jiang, T; Liang, DC	Chinese Academy of Sciences	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10910	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1178&target=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10910&enzyme=Casein+kinase+I+isoform+alpha&column=ki&startPg=0&Increment=50&submit=Search	R6C	1YHJ	4369502	46511480			DB04770			ZINC06358639	1	MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQGKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGF	5FQD	Casein kinase I isoform alpha	KC1A_RAT	P97633	P97634