BDBM50068915 5-{(S)-2-[1-Benzyl-3-(3-carboxymethyl-phenylcarbamoyl)-3,3-difluoro-2-oxo-propylcarbamoyl]-pyrrolidin-1-yl}-4-tert-butoxycarbonylamino-5-oxo-pentanoic acid::CHEMBL170697

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

InChI Key: InChIKey=LWPUEILRZWFZQE-STEQJIOHSA-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 = 50068915   

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))	BDBM50068915 (5-{(S)-2-[1-Benzyl-3-(3-carboxymethyl-phenylcarbam...) Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(CC(O)=O)c1 Show InChI InChI=1S/C34H40F2N4O10/c1-33(2,3)50-32(49)39-23(14-15-26(41)42)30(47)40-16-8-13-25(40)29(46)38-24(18-20-9-5-4-6-10-20)28(45)34(35,36)31(48)37-22-12-7-11-21(17-22)19-27(43)44/h4-7,9-12,17,23-25H,8,13-16,18-19H2,1-3H3,(H,37,48)(H,38,46)(H,39,49)(H,41,42)(H,43,44)/t23?,24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	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: 919-24 (1999) BindingDB Entry DOI: 10.7270/Q2BZ656D
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50068915 (5-{(S)-2-[1-Benzyl-3-(3-carboxymethyl-phenylcarbam...) Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(CC(O)=O)c1 Show InChI InChI=1S/C34H40F2N4O10/c1-33(2,3)50-32(49)39-23(14-15-26(41)42)30(47)40-16-8-13-25(40)29(46)38-24(18-20-9-5-4-6-10-20)28(45)34(35,36)31(48)37-22-12-7-11-21(17-22)19-27(43)44/h4-7,9-12,17,23-25H,8,13-16,18-19H2,1-3H3,(H,37,48)(H,38,46)(H,39,49)(H,41,42)(H,43,44)/t23?,24?,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.95E+3	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 Bovine Chymotrypsinogen				Bioorg Med Chem Lett 8: 919-24 (1999) BindingDB Entry DOI: 10.7270/Q2BZ656D
					More data for this Ligand-Target Pair