BDBM50076161 2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,6-dioxopiperazin-1-yl)-N-tert-butyl-2-(4-phenoxyphenyl)acetamide::CHEMBL29505::N-tert-Butyl-2-[(3R,6S)-3-mercaptomethyl-6-(4-nitro-benzyl)-2,5-dioxo-piperazin-1-yl]-2-(4-phenoxy-phenyl)-acetamide

SMILES: CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=CDMGVAYSDQPUKP-NPGWBMRXSA-N

Data: 4 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 4 hits for monomerid = 50076161   

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))	BDBM50076161 (2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...) Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H32N4O6S/c1-30(2,3)32-28(36)26(20-11-15-23(16-12-20)40-22-7-5-4-6-8-22)33-25(27(35)31-24(18-41)29(33)37)17-19-9-13-21(14-10-19)34(38)39/h4-16,24-26,41H,17-18H2,1-3H3,(H,31,35)(H,32,36)/t24-,25-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Matrix metalloprotease-9				J Med Chem 42: 1348-57 (1999) Article DOI: 10.1021/jm980475p BindingDB Entry DOI: 10.7270/Q24Q7T5X
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50076161 (2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...) Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H32N4O6S/c1-30(2,3)32-28(36)26(20-11-15-23(16-12-20)40-22-7-5-4-6-8-22)33-25(27(35)31-24(18-41)29(33)37)17-19-9-13-21(14-10-19)34(38)39/h4-16,24-26,41H,17-18H2,1-3H3,(H,31,35)(H,32,36)/t24-,25-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50076161 (2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...) Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H32N4O6S/c1-30(2,3)32-28(36)26(20-11-15-23(16-12-20)40-22-7-5-4-6-8-22)33-25(27(35)31-24(18-41)29(33)37)17-19-9-13-21(14-10-19)34(38)39/h4-16,24-26,41H,17-18H2,1-3H3,(H,31,35)(H,32,36)/t24-,25-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50076161 (2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...) Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H32N4O6S/c1-30(2,3)32-28(36)26(20-11-15-23(16-12-20)40-22-7-5-4-6-8-22)33-25(27(35)31-24(18-41)29(33)37)17-19-9-13-21(14-10-19)34(38)39/h4-16,24-26,41H,17-18H2,1-3H3,(H,31,35)(H,32,36)/t24-,25-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Matrix metalloprotease-1				J Med Chem 42: 1348-57 (1999) Article DOI: 10.1021/jm980475p BindingDB Entry DOI: 10.7270/Q24Q7T5X
					More data for this Ligand-Target Pair