BDBM50291441 (S)-3-Hydroxy-2-(2-mercapto-acetylamino)-N-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-butyramide::CHEMBL172892

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

InChI Key: InChIKey=GFDSFXBDLAUYHU-NVAMKISNSA-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 = 50291441   

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 (MMP-9) (Rattus norvegicus (Rat))	BDBM50291441 ((S)-3-Hydroxy-2-(2-mercapto-acetylamino)-N-((S)-1-...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CS)C(C)O Show InChI InChI=1S/C16H23N3O4S/c1-10(20)14(19-13(21)9-24)16(23)18-12(15(22)17-2)8-11-6-4-3-5-7-11/h3-7,10,12,14,20,24H,8-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,21)/t10?,12-,14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70E+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 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
Matrix metalloproteinase 8 (Rattus norvegicus)	BDBM50291441 ((S)-3-Hydroxy-2-(2-mercapto-acetylamino)-N-((S)-1-...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CS)C(C)O Show InChI InChI=1S/C16H23N3O4S/c1-10(20)14(19-13(21)9-24)16(23)18-12(15(22)17-2)8-11-6-4-3-5-7-11/h3-7,10,12,14,20,24H,8-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,21)/t10?,12-,14-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.10E+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-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
Tissue inhibitor of metalloproteinases-3 (Rattus norvegicus)	BDBM50291441 ((S)-3-Hydroxy-2-(2-mercapto-acetylamino)-N-((S)-1-...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CS)C(C)O Show InChI InChI=1S/C16H23N3O4S/c1-10(20)14(19-13(21)9-24)16(23)18-12(15(22)17-2)8-11-6-4-3-5-7-11/h3-7,10,12,14,20,24H,8-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,21)/t10?,12-,14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	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