BDBM50068903 (4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-acetic acid::CHEMBL171676

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)=O

InChI Key: InChIKey=UAMCDXMHFCRRRM-ZDZADGERSA-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 = 50068903   

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))	BDBM50068903 ((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)=O Show InChI InChI=1S/C28H38F2N4O8/c1-16(2)21(33-26(41)42-27(3,4)5)24(39)34-13-9-12-19(34)23(38)32-18(14-17-10-7-6-8-11-17)22(37)28(29,30)25(40)31-15-20(35)36/h6-8,10-11,16,18-19,21H,9,12-15H2,1-5H3,(H,31,40)(H,32,38)(H,33,41)(H,35,36)/t18?,19-,21-/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))	BDBM50068903 ((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)=O Show InChI InChI=1S/C28H38F2N4O8/c1-16(2)21(33-26(41)42-27(3,4)5)24(39)34-13-9-12-19(34)23(38)32-18(14-17-10-7-6-8-11-17)22(37)28(29,30)25(40)31-15-20(35)36/h6-8,10-11,16,18-19,21H,9,12-15H2,1-5H3,(H,31,40)(H,32,38)(H,33,41)(H,35,36)/t18?,19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.62E+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 Chymotrypsinogen				Bioorg Med Chem Lett 8: 913-8 (1999) BindingDB Entry DOI: 10.7270/Q2GQ6WXB
					More data for this Ligand-Target Pair