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
389052	Oc1ccc(cc1)-c1n[nH]c(NCc2cccc3[nH]ncc23)c1-c1ccc(O)cc1	InChI=1S/C23H19N5O2/c29-17-8-4-14(5-9-17)21-22(15-6-10-18(30)11-7-15)27-28-23(21)24-12-16-2-1-3-20-19(16)13-25-26-20/h1-11,13,29-30H,12H2,(H,25,26)(H2,24,27,28)	LPFLWTQGBQVIMT-UHFFFAOYSA-N	222346	CYP144A1 ligand, 1	Cytochrome P450 144 [31-434]				 8.2e+4				7		Curated from the literature by BindingDB	10.1021/acs.biochem.6b00954	10.7270/Q2SJ1JF3	28169518	aid1802600		Kavanagh, ME; Chenge, J; Zoufir, A; McLean, KJ; Coyne, AG; Bender, A; Munro, AW; Abell, C	University of Cambridge	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=222346	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9359&target=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=222346&enzyme=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search			126842849	335961214							1	MTIAKDANTFFGAESVQDPYPLYERMRAAGSVHRIANSDFYAVCGWDAVNEAIGRPEDFSSNLTATMTYTAEGTAKPFEMDPLGGPTHVLATADDPAHAVHRKLVLRHLAAKRIRVMEQFTVQAADRLWVDGMQDGCIEWMGAMANRLPMMVVAELIGLPDPDIAQLVKWGYAATQLLEGLVENDQLVAAGVALMELSGYIFEQFDRAAADPRDNLLGELATACASGELDTLTAQVMMVTLFAAGGESTAALLGSAVWILATRPDIQQQVRANPELLGAFIEETLRYEPPFRGHYRHVRNATTLDGTELPADSHLLLLWGAANRDPAQFEAPGEFRLDRAGGKGHISFGKGAHFCVGAALARLEARIVLRLLLDRTSVIEAADVGGWLPSILVRRIERLELAVQ	5HDI	Cytochrome P450 144	CP144_MYCTO	P9WPL0	L0TAD0 O33180						
389053	Oc1ccc(cc1)-c1n[nH]c(NCc2c[nH]cn2)c1-c1ccc(O)cc1	InChI=1S/C19H17N5O2/c25-15-5-1-12(2-6-15)17-18(13-3-7-16(26)8-4-13)23-24-19(17)21-10-14-9-20-11-22-14/h1-9,11,25-26H,10H2,(H,20,22)(H2,21,23,24)	QNVXUJBXEJSMQO-UHFFFAOYSA-N	222347	CYP144A1 ligand, 2	Cytochrome P450 144 [31-434]				 2.00e+5				7		Curated from the literature by BindingDB	10.1021/acs.biochem.6b00954	10.7270/Q2SJ1JF3	28169518	aid1802600		Kavanagh, ME; Chenge, J; Zoufir, A; McLean, KJ; Coyne, AG; Bender, A; Munro, AW; Abell, C	University of Cambridge	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=222347	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9359&target=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=222347&enzyme=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	69R	5IBH	126842850	335961215							1	MTIAKDANTFFGAESVQDPYPLYERMRAAGSVHRIANSDFYAVCGWDAVNEAIGRPEDFSSNLTATMTYTAEGTAKPFEMDPLGGPTHVLATADDPAHAVHRKLVLRHLAAKRIRVMEQFTVQAADRLWVDGMQDGCIEWMGAMANRLPMMVVAELIGLPDPDIAQLVKWGYAATQLLEGLVENDQLVAAGVALMELSGYIFEQFDRAAADPRDNLLGELATACASGELDTLTAQVMMVTLFAAGGESTAALLGSAVWILATRPDIQQQVRANPELLGAFIEETLRYEPPFRGHYRHVRNATTLDGTELPADSHLLLLWGAANRDPAQFEAPGEFRLDRAGGKGHISFGKGAHFCVGAALARLEARIVLRLLLDRTSVIEAADVGGWLPSILVRRIERLELAVQ	5HDI	Cytochrome P450 144	CP144_MYCTO	P9WPL0	L0TAD0 O33180						
389054	Nc1[nH]nc(c1-c1ccc(O)c(c1)-c1cccc(N)c1)-c1ccc(O)cc1	InChI=1S/C21H18N4O2/c22-15-3-1-2-13(10-15)17-11-14(6-9-18(17)27)19-20(24-25-21(19)23)12-4-7-16(26)8-5-12/h1-11,26-27H,22H2,(H3,23,24,25)	YIPHDXIYQIAWDD-UHFFFAOYSA-N	222348	CYP144A1 ligand, 3	Cytochrome P450 144 [31-434]				 1.40e+5				7.5	25.00 C	Curated from the literature by BindingDB	10.1021/acs.biochem.6b00954	10.7270/Q2SJ1JF3	28169518	aid1802601		Kavanagh, ME; Chenge, J; Zoufir, A; McLean, KJ; Coyne, AG; Bender, A; Munro, AW; Abell, C	University of Cambridge	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=222348	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9359&target=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=222348&enzyme=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	69S	5IBG	126842851	335961216							1	MTIAKDANTFFGAESVQDPYPLYERMRAAGSVHRIANSDFYAVCGWDAVNEAIGRPEDFSSNLTATMTYTAEGTAKPFEMDPLGGPTHVLATADDPAHAVHRKLVLRHLAAKRIRVMEQFTVQAADRLWVDGMQDGCIEWMGAMANRLPMMVVAELIGLPDPDIAQLVKWGYAATQLLEGLVENDQLVAAGVALMELSGYIFEQFDRAAADPRDNLLGELATACASGELDTLTAQVMMVTLFAAGGESTAALLGSAVWILATRPDIQQQVRANPELLGAFIEETLRYEPPFRGHYRHVRNATTLDGTELPADSHLLLLWGAANRDPAQFEAPGEFRLDRAGGKGHISFGKGAHFCVGAALARLEARIVLRLLLDRTSVIEAADVGGWLPSILVRRIERLELAVQ	5HDI	Cytochrome P450 144	CP144_MYCTO	P9WPL0	L0TAD0 O33180						
389055	c1nc(c[nH]1)-c1ccccc1	InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)	XHLKOHSAWQPOFO-UHFFFAOYSA-N	24656	4-PIM::4-Phenylimidazole::4-phenyl-1H-imidazole::4-phenylimidazole, 4-PI::CHEMBL14145::US9138393, 4-Phenyl- imidazole::US9144538, 4-Phenylimidazole	Cytochrome P450 144 [31-434]				 2.980e+6				7		Curated from the literature by BindingDB	10.1021/acs.biochem.6b00954	10.7270/Q2SJ1JF3	28169518	aid1802600		Kavanagh, ME; Chenge, J; Zoufir, A; McLean, KJ; Coyne, AG; Bender, A; Munro, AW; Abell, C	University of Cambridge	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=24656	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9359&target=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=24656&enzyme=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	231	5PHE	69590	56269607		CHEMBL14145				ZINC96308811	1	MTIAKDANTFFGAESVQDPYPLYERMRAAGSVHRIANSDFYAVCGWDAVNEAIGRPEDFSSNLTATMTYTAEGTAKPFEMDPLGGPTHVLATADDPAHAVHRKLVLRHLAAKRIRVMEQFTVQAADRLWVDGMQDGCIEWMGAMANRLPMMVVAELIGLPDPDIAQLVKWGYAATQLLEGLVENDQLVAAGVALMELSGYIFEQFDRAAADPRDNLLGELATACASGELDTLTAQVMMVTLFAAGGESTAALLGSAVWILATRPDIQQQVRANPELLGAFIEETLRYEPPFRGHYRHVRNATTLDGTELPADSHLLLLWGAANRDPAQFEAPGEFRLDRAGGKGHISFGKGAHFCVGAALARLEARIVLRLLLDRTSVIEAADVGGWLPSILVRRIERLELAVQ	5HDI	Cytochrome P450 144	CP144_MYCTO	P9WPL0	L0TAD0 O33180						
389056	c1cn(cn1)-c1ccccc1	InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H	SEULWJSKCVACTH-UHFFFAOYSA-N	7886	1-PIM::1-phenyl-1H-imidazole::1-phenylimidazole::CHEMBL275066::US9138393, 1-Phenyl- imidazole::US9144538, 1-Phenylimidazole	Cytochrome P450 144 [31-434]				 2.90e+5				7		Curated from the literature by BindingDB	10.1021/acs.biochem.6b00954	10.7270/Q2SJ1JF3	28169518	aid1802600		Kavanagh, ME; Chenge, J; Zoufir, A; McLean, KJ; Coyne, AG; Bender, A; Munro, AW; Abell, C	University of Cambridge	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7886	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9359&target=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7886&enzyme=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	PIW	3NC6,1PHD,7O1X	81595	11108648		CHEMBL275066				ZINC00160340	1	MTIAKDANTFFGAESVQDPYPLYERMRAAGSVHRIANSDFYAVCGWDAVNEAIGRPEDFSSNLTATMTYTAEGTAKPFEMDPLGGPTHVLATADDPAHAVHRKLVLRHLAAKRIRVMEQFTVQAADRLWVDGMQDGCIEWMGAMANRLPMMVVAELIGLPDPDIAQLVKWGYAATQLLEGLVENDQLVAAGVALMELSGYIFEQFDRAAADPRDNLLGELATACASGELDTLTAQVMMVTLFAAGGESTAALLGSAVWILATRPDIQQQVRANPELLGAFIEETLRYEPPFRGHYRHVRNATTLDGTELPADSHLLLLWGAANRDPAQFEAPGEFRLDRAGGKGHISFGKGAHFCVGAALARLEARIVLRLLLDRTSVIEAADVGGWLPSILVRRIERLELAVQ	5HDI	Cytochrome P450 144	CP144_MYCTO	P9WPL0	L0TAD0 O33180						
389057	Brc1ccc(cc1)-c1c[nH]cn1	InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)	YLIOAWKNPLJMID-UHFFFAOYSA-N	222349	CYP144A1 ligand, 4	Cytochrome P450 144 [31-434]				 2.30e+5				7		Curated from the literature by BindingDB	10.1021/acs.biochem.6b00954	10.7270/Q2SJ1JF3	28169518	aid1802600		Kavanagh, ME; Chenge, J; Zoufir, A; McLean, KJ; Coyne, AG; Bender, A; Munro, AW; Abell, C	University of Cambridge	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=222349	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9359&target=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=222349&enzyme=Cytochrome+P450+144+%5B31-434%5D&column=ki&startPg=0&Increment=50&submit=Search	36Y	5OU2,4WQJ,4TT5	818595	335961217							1	MTIAKDANTFFGAESVQDPYPLYERMRAAGSVHRIANSDFYAVCGWDAVNEAIGRPEDFSSNLTATMTYTAEGTAKPFEMDPLGGPTHVLATADDPAHAVHRKLVLRHLAAKRIRVMEQFTVQAADRLWVDGMQDGCIEWMGAMANRLPMMVVAELIGLPDPDIAQLVKWGYAATQLLEGLVENDQLVAAGVALMELSGYIFEQFDRAAADPRDNLLGELATACASGELDTLTAQVMMVTLFAAGGESTAALLGSAVWILATRPDIQQQVRANPELLGAFIEETLRYEPPFRGHYRHVRNATTLDGTELPADSHLLLLWGAANRDPAQFEAPGEFRLDRAGGKGHISFGKGAHFCVGAALARLEARIVLRLLLDRTSVIEAADVGGWLPSILVRRIERLELAVQ	5HDI	Cytochrome P450 144	CP144_MYCTO	P9WPL0	L0TAD0 O33180