BDBM50290672 (S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic acid ((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide::CHEMBL329145

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

InChI Key: InChIKey=RMAHZBKEPFXNHG-GJZGRUSLSA-N

Data: 6 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 6 hits for monomerid = 50290672   

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))	BDBM50290672 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	90	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))	BDBM50290672 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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-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
Matrix metalloproteinase 8 (Rattus norvegicus)	BDBM50290672 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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 Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9) (Rattus norvegicus (Rat))	BDBM50290672 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3 (Rattus norvegicus)	BDBM50290672 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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 Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50290672 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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