Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine protease 1   (223/223 = 100%)† (Bos taurus (bovine))	BDBM14153 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES NC(=[NH2+])c1cc2[nH]c(nc2cc1Cl)-c1cccc(-c2ccccc2)c1[O-] Show InChI InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	810	-34.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 329: 93-120 (2003) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease 1   (223/223 = 100%)† (Bos taurus (bovine))	BDBM14153 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES NC(=[NH2+])c1cc2[nH]c(nc2cc1Cl)-c1cccc(-c2ccccc2)c1[O-] Show InChI InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 8: 1107-21 (2001) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease 1   (223/223 = 100%)† (Bos taurus (bovine))	BDBM14153 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES NC(=[NH2+])c1cc2[nH]c(nc2cc1Cl)-c1cccc(-c2ccccc2)c1[O-] Show InChI InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 8: 1107-21 (2001) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease 1   (223/223 = 100%)† (Bos taurus (bovine))	BDBM14153 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES NC(=[NH2+])c1cc2[nH]c(nc2cc1Cl)-c1cccc(-c2ccccc2)c1[O-] Show InChI InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axys Pharmaceutical					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Chem Biol 8: 1107-21 (2001) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair				3D Structure (crystal)

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