BDBM50068905 (4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-acetic acid benzyl ester::CHEMBL172873

SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(=O)OCc1ccccc1

InChI Key: InChIKey=IBPZVDLKMJYZON-KKGVWULHSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50068905   

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
Chymase (Homo sapiens (Human))	BDBM50068905 ((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(=O)OCc1ccccc1 Show InChI InChI=1S/C35H44F2N4O8/c1-22(2)28(40-33(47)49-34(3,4)5)31(45)41-18-12-17-26(41)30(44)39-25(19-23-13-8-6-9-14-23)29(43)35(36,37)32(46)38-20-27(42)48-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-26,28H,12,17-21H2,1-5H3,(H,38,46)(H,39,44)(H,40,47)/t25?,26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human heart chymase (HHC)				Bioorg Med Chem Lett 8: 913-8 (1999) BindingDB Entry DOI: 10.7270/Q2GQ6WXB
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50068905 ((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(=O)OCc1ccccc1 Show InChI InChI=1S/C35H44F2N4O8/c1-22(2)28(40-33(47)49-34(3,4)5)31(45)41-18-12-17-26(41)30(44)39-25(19-23-13-8-6-9-14-23)29(43)35(36,37)32(46)38-20-27(42)48-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-26,28H,12,17-21H2,1-5H3,(H,38,46)(H,39,44)(H,40,47)/t25?,26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Chymotrypsinogen				Bioorg Med Chem Lett 8: 913-8 (1999) BindingDB Entry DOI: 10.7270/Q2GQ6WXB
					More data for this Ligand-Target Pair