BDBM50068899 3-(4-{[(S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-benzoic acid::CHEMBL170200

SMILES: CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=KRJZRSZIDUORFM-UWDVWBIHSA-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 = 50068899   

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))	BDBM50068899 (3-(4-{[(S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)...) Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C35H36F2N4O7/c1-21(2)28(40-30(43)23-13-7-4-8-14-23)32(45)41-18-10-17-27(41)31(44)39-26(19-22-11-5-3-6-12-22)29(42)35(36,37)34(48)38-25-16-9-15-24(20-25)33(46)47/h3-9,11-16,20-21,26-28H,10,17-19H2,1-2H3,(H,38,48)(H,39,44)(H,40,43)(H,46,47)/t26?,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	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))	BDBM50068899 (3-(4-{[(S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)...) Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C35H36F2N4O7/c1-21(2)28(40-30(43)23-13-7-4-8-14-23)32(45)41-18-10-17-27(41)31(44)39-26(19-22-11-5-3-6-12-22)29(42)35(36,37)34(48)38-25-16-9-15-24(20-25)33(46)47/h3-9,11-16,20-21,26-28H,10,17-19H2,1-2H3,(H,38,48)(H,39,44)(H,40,43)(H,46,47)/t26?,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	275	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