BDBM50290669 (S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto-butyrylamino]-4-methyl-pentanoic acid ((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide::CHEMBL92835

SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=SJEBBPDOLJCLQH-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 = 50290669   

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))	BDBM50290669 ((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/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	31	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50290669 ((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/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	860	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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50290669 ((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/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	15	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