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
51021098	COc1ccccc1C(=O)Nc1nc2cc(ccc2s1)C(F)(F)F	InChI=1S/C16H11F3N2O2S/c1-23-12-5-3-2-4-10(12)14(22)21-15-20-11-8-9(16(17,18)19)6-7-13(11)24-15/h2-8H,1H3,(H,20,21,22)	WBFBQHWUSFCJST-UHFFFAOYSA-N	50288830	CHEMBL4177272	Neuronal calcium sensor 1				 11530						ChEMBL	10.1021/acs.jmedchem.8b00088	10.7270/Q2WS8WSQ	29966094			Roca, C; Martinez-González, L; Daniel-Mozo, M; Sastre, J; Infantes, L; Mansilla, A; Chaves-Sanjuan, A; González-Rubio, JM; Gil, C; Cañada, FJ; Martinez, A; Sanchez-Barrena, MJ; Campillo, NE	Biological Research Center	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50288830	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007619&target=Neuronal+calcium+sensor+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50288830&enzyme=Neuronal+calcium+sensor+1&column=ki&startPg=0&Increment=50&submit=Search			44364737	104130401						ZINC27556315	1	MGKSNSKLKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGYITRNEMLDIVDAIYQMVGNTVELPEEENTPEKRVDRIFAMMDKNADGKLTLQEFQEGSKADPSIVQALSLYDGLV	1G8I,2LCP,4GUK,4OV2,4YRU,5AEQ,5AER,5AFP,6QI4	Neuronal calcium sensor 1	NCS1_HUMAN	P62166	E9PAY3 P36610 Q9UK26						
51021096	O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1	InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)	GYQWKTIZRYVFEM-UHFFFAOYSA-N	50008396	CHEMBL3235533	Neuronal calcium sensor 1				 1250						ChEMBL	10.1021/acs.jmedchem.8b00088	10.7270/Q2WS8WSQ	29966094			Roca, C; Martinez-González, L; Daniel-Mozo, M; Sastre, J; Infantes, L; Mansilla, A; Chaves-Sanjuan, A; González-Rubio, JM; Gil, C; Cañada, FJ; Martinez, A; Sanchez-Barrena, MJ; Campillo, NE	Biological Research Center	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50008396	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007619&target=Neuronal+calcium+sensor+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50008396&enzyme=Neuronal+calcium+sensor+1&column=ki&startPg=0&Increment=50&submit=Search	BNQ	6EPA	591698	103921557		CHEMBL3235533					1	MGKSNSKLKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGYITRNEMLDIVDAIYQMVGNTVELPEEENTPEKRVDRIFAMMDKNADGKLTLQEFQEGSKADPSIVQALSLYDGLV	1G8I,2LCP,4GUK,4OV2,4YRU,5AEQ,5AER,5AFP,6QI4	Neuronal calcium sensor 1	NCS1_HUMAN	P62166	E9PAY3 P36610 Q9UK26