BDBM50290676 (S)-2-(2-Mercapto-4-phenyl-butyrylamino)-4-methyl-pentanoic acid ((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide::CHEMBL431268

SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCc1ccccc1

InChI Key: InChIKey=PBUKUIIGUHJHQN-OJSMNCEXSA-N

Data: 3 IC50

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 3 hits for monomerid = 50290676   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290676 ((S)-2-(2-Mercapto-4-phenyl-butyrylamino)-4-methyl-...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCc1ccccc1 Show InChI InChI=1S/C26H35N3O3S/c1-18(2)16-21(29-26(32)23(33)15-14-19-10-6-4-7-11-19)25(31)28-22(24(30)27-3)17-20-12-8-5-9-13-20/h4-13,18,21-23,33H,14-17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)/t21-,22-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-9, MMP-9				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290676 ((S)-2-(2-Mercapto-4-phenyl-butyrylamino)-4-methyl-...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCc1ccccc1 Show InChI InChI=1S/C26H35N3O3S/c1-18(2)16-21(29-26(32)23(33)15-14-19-10-6-4-7-11-19)25(31)28-22(24(30)27-3)17-20-12-8-5-9-13-20/h4-13,18,21-23,33H,14-17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)/t21-,22-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-8, MMP-8				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50290676 ((S)-2-(2-Mercapto-4-phenyl-butyrylamino)-4-methyl-...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCc1ccccc1 Show InChI InChI=1S/C26H35N3O3S/c1-18(2)16-21(29-26(32)23(33)15-14-19-10-6-4-7-11-19)25(31)28-22(24(30)27-3)17-20-12-8-5-9-13-20/h4-13,18,21-23,33H,14-17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)/t21-,22-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3, MMP-3				Bioorg Med Chem Lett 7: 2765-2770 (1997) Article DOI: 10.1016/S0960-894X(97)10069-5 BindingDB Entry DOI: 10.7270/Q29G5MTB
					More data for this Ligand-Target Pair