Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen B' and Ligand = 'BDBM50133629'   

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
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50133629 (2,3-Dioxo-2,3-dihydro-indole-1-carboxylic acid ben...) Show SMILES O=C(OCc1ccccc1)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C16H11NO4/c18-14-12-8-4-5-9-13(12)17(15(14)19)16(20)21-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant against alpha-chymotrypsin				Bioorg Med Chem Lett 5: 89-92 (1995) Article DOI: 10.1016/0960-894X(94)00464-Q BindingDB Entry DOI: 10.7270/Q2PZ58S0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50133629 (2,3-Dioxo-2,3-dihydro-indole-1-carboxylic acid ben...) Show SMILES O=C(OCc1ccccc1)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C16H11NO4/c18-14-12-8-4-5-9-13(12)17(15(14)19)16(20)21-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.0000400	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant of the compound against Alpha-chymotrypsin inhibitor was determined				Bioorg Med Chem Lett 5: 89-92 (1995) Article DOI: 10.1016/0960-894X(94)00464-Q BindingDB Entry DOI: 10.7270/Q2PZ58S0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50133629 (2,3-Dioxo-2,3-dihydro-indole-1-carboxylic acid ben...) Show SMILES O=C(OCc1ccccc1)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C16H11NO4/c18-14-12-8-4-5-9-13(12)17(15(14)19)16(20)21-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.000948	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant against alpha-chymotrypsin				Bioorg Med Chem Lett 5: 89-92 (1995) Article DOI: 10.1016/0960-894X(94)00464-Q BindingDB Entry DOI: 10.7270/Q2PZ58S0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50133629 (2,3-Dioxo-2,3-dihydro-indole-1-carboxylic acid ben...) Show SMILES O=C(OCc1ccccc1)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C16H11NO4/c18-14-12-8-4-5-9-13(12)17(15(14)19)16(20)21-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	253	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant of the compound against Alpha-chymotrypsin inhibitor was determined				Bioorg Med Chem Lett 5: 89-92 (1995) Article DOI: 10.1016/0960-894X(94)00464-Q BindingDB Entry DOI: 10.7270/Q2PZ58S0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50133629 (2,3-Dioxo-2,3-dihydro-indole-1-carboxylic acid ben...) Show SMILES O=C(OCc1ccccc1)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C16H11NO4/c18-14-12-8-4-5-9-13(12)17(15(14)19)16(20)21-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	7.60	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant against Alpha-chymotrypsin from time dependent inhibition and reactivation data				Bioorg Med Chem Lett 5: 89-92 (1995) Article DOI: 10.1016/0960-894X(94)00464-Q BindingDB Entry DOI: 10.7270/Q2PZ58S0
					More data for this Ligand-Target Pair