BDBM50127455 2-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl]-N-hydroxy-3-methyl-butyramide::CHEMBL54292

SMILES: CCOc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1

InChI Key: InChIKey=WJPORLWHPJGLSC-HSZRJFAPSA-N

Data: 4 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 5 hits for monomerid = 50127455   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50127455 (2-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C24H33N3O7S/c1-5-32-19-11-17(12-20(13-19)33-6-2)15-34-18-7-8-22-21(14-18)25-9-10-27(35(22,30)31)23(16(3)4)24(28)26-29/h7-8,11-14,16,23,25,29H,5-6,9-10,15H2,1-4H3,(H,26,28)/t23-/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	51	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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50127455 (2-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C24H33N3O7S/c1-5-32-19-11-17(12-20(13-19)33-6-2)15-34-18-7-8-22-21(14-18)25-9-10-27(35(22,30)31)23(16(3)4)24(28)26-29/h7-8,11-14,16,23,25,29H,5-6,9-10,15H2,1-4H3,(H,26,28)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.13E+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-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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50127455 (2-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C24H33N3O7S/c1-5-32-19-11-17(12-20(13-19)33-6-2)15-34-18-7-8-22-21(14-18)25-9-10-27(35(22,30)31)23(16(3)4)24(28)26-29/h7-8,11-14,16,23,25,29H,5-6,9-10,15H2,1-4H3,(H,26,28)/t23-/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	3.00E+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-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
Interstitial collagenase (Homo sapiens (Human))	BDBM50127455 (2-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C24H33N3O7S/c1-5-32-19-11-17(12-20(13-19)33-6-2)15-34-18-7-8-22-21(14-18)25-9-10-27(35(22,30)31)23(16(3)4)24(28)26-29/h7-8,11-14,16,23,25,29H,5-6,9-10,15H2,1-4H3,(H,26,28)/t23-/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))	BDBM50127455 (2-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C24H33N3O7S/c1-5-32-19-11-17(12-20(13-19)33-6-2)15-34-18-7-8-22-21(14-18)25-9-10-27(35(22,30)31)23(16(3)4)24(28)26-29/h7-8,11-14,16,23,25,29H,5-6,9-10,15H2,1-4H3,(H,26,28)/t23-/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	8.20E+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 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