Compile Data Set for Download or QSAR

Found 38 hits of ki for UniProtKB: P17538   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50024092 (6-Iodomethylene-4-phenyl-tetrahydro-pyran-2-one | ...) Show SMILES I\C=C1/CC(CC(=O)O1)c1ccccc1 Show InChI InChI=1S/C12H11IO2/c13-8-11-6-10(7-12(14)15-11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/b11-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding constant of the compound alpha-chymotrypsin was determined by competitive inhibition assay with BTEE as substrate				J Med Chem 29: 230-8 (1986) BindingDB Entry DOI: 10.7270/Q2NC6068
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50014743 (CHEMBL132171 | N-(1-{2-[2-(1-Benzyl-3,3,3-trifluor...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C26H33F3N4O7/c1-15(30-20(34)11-12-21(35)40-3)23(37)31-16(2)25(39)33-13-7-10-19(33)24(38)32-18(22(36)26(27,28)29)14-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-19H,7,10-14H2,1-3H3,(H,30,34)(H,31,37)(H,32,38)/t15-,16-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-chymotrypsin				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50014731 (3-[(1-{2-[2-(3-Methoxycarbonyl-propionylamino)-pro...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)OC Show InChI InChI=1S/C27H36N4O9/c1-16(28-21(32)12-13-22(33)39-3)24(35)29-17(2)26(37)31-14-8-11-20(31)25(36)30-19(23(34)27(38)40-4)15-18-9-6-5-7-10-18/h5-7,9-10,16-17,19-20H,8,11-15H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t16-,17-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-chymotrypsin				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025866 (CHEMBL60695 | N-[1R-(2-phenyl ethyl)]benzamide dif...) Show SMILES FB(F)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H14BF2NO/c17-16(18)14(11-12-7-3-1-4-8-12)19-15(20)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,19,20)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025877 (CHEMBL58683 | N-[1R-(2-phenyl ethyl)]propanamide d...) Show SMILES CC(N)C(=O)N[C@@H](Cc1ccccc1)B(F)F Show InChI InChI=1S/C11H15BF2N2O/c1-8(15)11(17)16-10(12(13)14)7-9-5-3-2-4-6-9/h2-6,8,10H,7,15H2,1H3,(H,16,17)/t8?,10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Chymotrypsinogen				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025875 (2-Amino-N-[1R-(2-phenyl ethyl)]propanamide boronic...) Show SMILES CC(N)C(=O)N[C@@H](Cc1ccccc1)B(O)O Show InChI InChI=1S/C11H17BN2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,16-17H,7,13H2,1H3,(H,14,15)/t8?,10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025872 (CHEMBL293513 | N-[1R-(2-phenyl ethyl)]benzamide bo...) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H16BNO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14,19-20H,11H2,(H,17,18)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM521743 (US11149067, Compound Ahp2) Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C2=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025870 (CHEMBL57262 | N-(2-phenyl ethyl)benzamide difluoro...) Show SMILES FB(F)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H14BF2NO/c17-16(18)14(11-12-7-3-1-4-8-12)19-15(20)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025860 (CHEMBL292664 | N-(2-phenyl ethyl)benzamide boronic...) Show SMILES OB(O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H16BNO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14,19-20H,11H2,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025868 (2-Amino-N-(2-phenyl ethyl)propanamide difluorobora...) Show SMILES CC(N)C(=O)NC(Cc1ccccc1)B(F)F Show InChI InChI=1S/C11H15BF2N2O/c1-8(15)11(17)16-10(12(13)14)7-9-5-3-2-4-6-9/h2-6,8,10H,7,15H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025865 (CHEMBL292593 | N-[1R-(2-phenyl ethyl)]acetamide di...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)B(F)F Show InChI InChI=1S/C10H12BF2NO/c1-8(15)14-10(11(12)13)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,14,15)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025874 (2-Amino-N-benzylpropanamide difluoroborane | CHEMB...) Show SMILES CC(N)C(=O)NC(B(F)F)c1ccccc1 Show InChI InChI=1S/C10H13BF2N2O/c1-7(14)10(16)15-9(11(12)13)8-5-3-2-4-6-8/h2-7,9H,14H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM521750 (US11149067, Compound Ahp9) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc2ccccc2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025862 (CHEMBL58706 | N-[1R-(2-phenyl ethyl)]acetamide bor...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)B(O)O Show InChI InChI=1S/C10H14BNO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10,14-15H,7H2,1H3,(H,12,13)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					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	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))	BDBM50025861 (CHEMBL56829 | N-benzylbenzamide difluoroborane) Show SMILES FB(F)C(NC(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12BF2NO/c16-15(17)13(11-7-3-1-4-8-11)18-14(19)12-9-5-2-6-10-12/h1-10,13H,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025859 (CHEMBL61146 | N-(2-phenyl ethyl)acetamide boronic ...) Show SMILES CC(=O)NC(Cc1ccccc1)B(O)O Show InChI InChI=1S/C10H14BNO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10,14-15H,7H2,1H3,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025863 (2-Amino-N-[(1R)-benzyl]propanamide difluoroborane ...) Show SMILES CC(N)C(=O)N[C@H](B(F)F)c1ccccc1 Show InChI InChI=1S/C10H13BF2N2O/c1-7(14)10(16)15-9(11(12)13)8-5-3-2-4-6-8/h2-7,9H,14H2,1H3,(H,15,16)/t7?,9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50025871 (CHEMBL430767 | N-(2-phenyl ethyl)acetamide difluor...) Show SMILES CC(=O)NC(Cc1ccccc1)B(F)F Show InChI InChI=1S/C10H12BF2NO/c1-8(15)14-10(11(12)13)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competetive inhibition of alpha-chymotrypsin				J Med Chem 28: 1917-25 (1986) BindingDB Entry DOI: 10.7270/Q22B8X1B
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50126635 (3-[3-({[(Z)-amino(imino)methyl]amino}oxy)ethoxy]-5...) Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 Show InChI InChI=1S/C18H23N3O7S2/c1-13-10-14(26-8-5-9-27-21-18(19)20)12-15(11-13)28-30(24,25)17-7-4-3-6-16(17)29(2,22)23/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H4,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound was tested against serine protease Chymotrypsin				Bioorg Med Chem Lett 13: 1495-8 (2003) BindingDB Entry DOI: 10.7270/Q2668CJ9
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50287589 ((S)-3-Acetylamino-2,2-difluoro-4-phenyl-butyric ac...) Show SMILES COC(=O)C(F)(F)[C@H](Cc1ccccc1)NC(C)=O Show InChI InChI=1S/C13H15F2NO3/c1-9(17)16-11(13(14,15)12(18)19-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,16,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.8	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibitory activity of the compound toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.				Bioorg Med Chem Lett 6: 1875-1880 (1996) Article DOI: 10.1016/0960-894X(96)00342-3 BindingDB Entry DOI: 10.7270/Q2BG2P0K
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM521751 (US11149067, Compound Ahp10) Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@H](OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)C)C(C)C)C2=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM521749 (US11149067, Compound Ahp8) Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C2=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM521748 (US11149067, Compound Ahp7) Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](C)N(C)C1=O)C(C)C)C(C)C)C2=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM521747 (US11149067, Compound Ahp6) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc2ccccc2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM521746 (US11149067, Compound Ahp5) Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)C)C2=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM521745 (US11149067, Compound Ahp4) Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)C)C2=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM521744 (US11149067, Compound Ahp3) Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@H](OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)c1ccccc1)C(C)C)C2=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM521742 (US11149067, Compound Ahp1) Show SMILES CC(C)C[C@@H]1N2[C@H](O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc3ccccc3)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C1=O)C(C)C)C(C)C)C2=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22D0
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50024093 (6-Iodomethylene-5-phenyl-tetrahydro-pyran-2-one | ...) Show SMILES I\C=C1\OC(=O)CCC1c1ccccc1 Show InChI InChI=1S/C12H11IO2/c13-8-11-10(6-7-12(14)15-11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/b11-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding constant of the compound alpha-chymotrypsin was determined by competitive inhibition assay with Suc-Ala-Ala-Pro-Phe-pNA as substrate				J Med Chem 29: 230-8 (1986) BindingDB Entry DOI: 10.7270/Q2NC6068
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50076819 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES Nc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C29H36FN5O4S/c30-14-10-21-12-16-35(17-13-21)29(37)28(23-6-8-24(31)9-7-23)34-40(38,39)27-19-32-15-11-26(27)33-25(20-36)18-22-4-2-1-3-5-22/h1-9,11,15,19,21,25,28,34,36H,10,12-14,16-18,20,31H2,(H,32,33)/t25-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated against against human chymotrypsin				Bioorg Med Chem Lett 9: 1103-8 (1999) BindingDB Entry DOI: 10.7270/Q2SB44XG
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50287590 (CHEMBL291936 | N-((S)-1-Benzyl-2,2-difluoro-but-3-...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)C=C Show InChI InChI=1S/C13H15F2NO/c1-3-13(14,15)12(16-10(2)17)9-11-7-5-4-6-8-11/h3-8,12H,1,9H2,2H3,(H,16,17)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.8	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibitory activity of the compound toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.				Bioorg Med Chem Lett 6: 1875-1880 (1996) Article DOI: 10.1016/0960-894X(96)00342-3 BindingDB Entry DOI: 10.7270/Q2BG2P0K
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50288336 (1-Benzoyl-pyrrolidine-2-carboxylic acid ((S)-1-(R)...) Show SMILES O=C(N[C@@H](Cc1ccccc1)[C@@H]1CO1)C1CCCN1C(=O)c1ccccc1 Show InChI InChI=1S/C22H24N2O3/c25-21(23-18(20-15-27-20)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(26)17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2,(H,23,25)/t18-,19?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	8.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against alpha-chymotrypsin				Bioorg Med Chem Lett 6: 2837-2840 (1996) Article DOI: 10.1016/S0960-894X(96)00536-7 BindingDB Entry DOI: 10.7270/Q2C53KTP
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50284351 (2,3-Dioxo-2,3-dihydro-indole-1-carboxylic acid ter...) Show SMILES CC(C)(C)OC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C13H13NO4/c1-13(2,3)18-12(17)14-9-7-5-4-6-8(9)10(15)11(14)16/h4-7H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	>2.00E+6	n/a	n/a	n/a	n/a	n/a	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))	BDBM50287591 ((S)-3-Acetylamino-2-fluoro-4-phenyl-butyric acid m...) Show SMILES COC(=O)C(F)[C@H](Cc1ccccc1)NC(C)=O Show InChI InChI=1S/C13H16FNO3/c1-9(16)15-11(12(14)13(17)18-2)8-10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3,(H,15,16)/t11-,12?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.44E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.8	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibitory activity of the compound toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.				Bioorg Med Chem Lett 6: 1875-1880 (1996) Article DOI: 10.1016/0960-894X(96)00342-3 BindingDB Entry DOI: 10.7270/Q2BG2P0K
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50287591 ((S)-3-Acetylamino-2-fluoro-4-phenyl-butyric acid m...) Show SMILES COC(=O)C(F)[C@H](Cc1ccccc1)NC(C)=O Show InChI InChI=1S/C13H16FNO3/c1-9(16)15-11(12(14)13(17)18-2)8-10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3,(H,15,16)/t11-,12?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.44E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.8	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibitory activity of the compound toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.				Bioorg Med Chem Lett 6: 1875-1880 (1996) Article DOI: 10.1016/0960-894X(96)00342-3 BindingDB Entry DOI: 10.7270/Q2BG2P0K
					More data for this Ligand-Target Pair