BDBM50120690 CHEMBL343216::N-Hydroxy-2-{3-methyl-3-[4-(3-nitro-benzyloxy)-phenyl]-2-oxo-pyrrolidin-1-yl}-propionamide

SMILES: C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(=O)NO

InChI Key: InChIKey=BRSYUNJNYYWNHY-SZNDQCEHSA-N

Data: 3 KI  1 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 = 50120690   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50120690 (CHEMBL343216 | N-Hydroxy-2-{3-methyl-3-[4-(3-nitro...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-11-10-21(2,20(23)26)16-6-8-18(9-7-16)30-13-15-4-3-5-17(12-15)24(28)29/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Affinity for Matrix metalloprotease-2 (MMP-2)				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50120690 (CHEMBL343216 | N-Hydroxy-2-{3-methyl-3-[4-(3-nitro...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-11-10-21(2,20(23)26)16-6-8-18(9-7-16)30-13-15-4-3-5-17(12-15)24(28)29/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Affinity towards Matrix metalloprotease-9 (MMP-9)				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50120690 (CHEMBL343216 | N-Hydroxy-2-{3-methyl-3-[4-(3-nitro...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-11-10-21(2,20(23)26)16-6-8-18(9-7-16)30-13-15-4-3-5-17(12-15)24(28)29/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Affinity towards Matrix metalloprotease-1 (MMP-1)				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50120690 (CHEMBL343216 | N-Hydroxy-2-{3-methyl-3-[4-(3-nitro...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-11-10-21(2,20(23)26)16-6-8-18(9-7-16)30-13-15-4-3-5-17(12-15)24(28)29/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Affinity for Tumor necrosis factor alpha converting enzyme (TACE)				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair