BDBM50127460 CHEMBL52659::N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl]-propionamide

SMILES: C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO

InChI Key: InChIKey=HEHZCMROVKSJTK-LLVKDONJSA-N

Data: 4 KI  2 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 = 50127460   

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))	BDBM50127460 (CHEMBL52659 | N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1...) Show SMILES C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-8-7-18-15-10-14(5-6-16(15)29(20,26)27)28-13-4-2-3-12(9-13)21(24)25/h2-6,9-11,18,23H,7-8H2,1H3,(H,19,22)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50127460 (CHEMBL52659 | N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1...) Show SMILES C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-8-7-18-15-10-14(5-6-16(15)29(20,26)27)28-13-4-2-3-12(9-13)21(24)25/h2-6,9-11,18,23H,7-8H2,1H3,(H,19,22)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50127460 (CHEMBL52659 | N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1...) Show SMILES C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-8-7-18-15-10-14(5-6-16(15)29(20,26)27)28-13-4-2-3-12(9-13)21(24)25/h2-6,9-11,18,23H,7-8H2,1H3,(H,19,22)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50127460 (CHEMBL52659 | N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1...) Show SMILES C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-8-7-18-15-10-14(5-6-16(15)29(20,26)27)28-13-4-2-3-12(9-13)21(24)25/h2-6,9-11,18,23H,7-8H2,1H3,(H,19,22)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-1 (MMP-1)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50127460 (CHEMBL52659 | N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1...) Show SMILES C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-8-7-18-15-10-14(5-6-16(15)29(20,26)27)28-13-4-2-3-12(9-13)21(24)25/h2-6,9-11,18,23H,7-8H2,1H3,(H,19,22)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to suppress the formation of TNF-aplha in human whole blood assay (WBA)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50127460 (CHEMBL52659 | N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1...) Show SMILES C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-8-7-18-15-10-14(5-6-16(15)29(20,26)27)28-13-4-2-3-12(9-13)21(24)25/h2-6,9-11,18,23H,7-8H2,1H3,(H,19,22)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to suppress the formation of TNF-aplha in human peripheral blood mononuclear cell assay(PBMC)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair