BDBM50284758 (2S,3R)-5-Methyl-3-((S)-1-methylcarbamoyl-2-phenyl-ethylcarbamoyl)-2-(thiophen-2-ylsulfanylmethyl)-hexanoic acid::CHEMBL33471

SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(O)=O

InChI Key: InChIKey=DDIMOHDQZATCIL-QYZOEREBSA-N

Data: 1 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 1 hit for monomerid = 50284758   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50284758 ((2S,3R)-5-Methyl-3-((S)-1-methylcarbamoyl-2-phenyl...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(O)=O Show InChI InChI=1S/C23H30N2O4S2/c1-15(2)12-17(18(23(28)29)14-31-20-10-7-11-30-20)21(26)25-19(22(27)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19H,12-14H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human fibroblast collagenase, matrix metalloproteinase-1				Bioorg Med Chem Lett 5: 1415-1420 (1995) Article DOI: 10.1016/0960-894X(95)00233-J BindingDB Entry DOI: 10.7270/Q2Z89CBH
					More data for this Ligand-Target Pair