Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50003144   

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))	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))	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))	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))	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))	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))	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))	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))	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