BDBM50127452 5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl]-5-hydroxycarbamoyl-pentanoic acid methyl ester::CHEMBL299997

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

InChI Key: InChIKey=CZUPUFGAPNROGT-HSZRJFAPSA-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 = 50127452   

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))	BDBM50127452 (5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C26H35N3O9S/c1-4-36-20-13-18(14-21(15-20)37-5-2)17-38-19-9-10-24-22(16-19)27-11-12-29(39(24,33)34)23(26(31)28-32)7-6-8-25(30)35-3/h9-10,13-16,23,27,32H,4-8,11-12,17H2,1-3H3,(H,28,31)/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	13	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50127452 (5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C26H35N3O9S/c1-4-36-20-13-18(14-21(15-20)37-5-2)17-38-19-9-10-24-22(16-19)27-11-12-29(39(24,33)34)23(26(31)28-32)7-6-8-25(30)35-3/h9-10,13-16,23,27,32H,4-8,11-12,17H2,1-3H3,(H,28,31)/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	1.38E+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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50127452 (5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C26H35N3O9S/c1-4-36-20-13-18(14-21(15-20)37-5-2)17-38-19-9-10-24-22(16-19)27-11-12-29(39(24,33)34)23(26(31)28-32)7-6-8-25(30)35-3/h9-10,13-16,23,27,32H,4-8,11-12,17H2,1-3H3,(H,28,31)/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
Interstitial collagenase (Homo sapiens (Human))	BDBM50127452 (5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C26H35N3O9S/c1-4-36-20-13-18(14-21(15-20)37-5-2)17-38-19-9-10-24-22(16-19)27-11-12-29(39(24,33)34)23(26(31)28-32)7-6-8-25(30)35-3/h9-10,13-16,23,27,32H,4-8,11-12,17H2,1-3H3,(H,28,31)/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))	BDBM50127452 (5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C26H35N3O9S/c1-4-36-20-13-18(14-21(15-20)37-5-2)17-38-19-9-10-24-22(16-19)27-11-12-29(39(24,33)34)23(26(31)28-32)7-6-8-25(30)35-3/h9-10,13-16,23,27,32H,4-8,11-12,17H2,1-3H3,(H,28,31)/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	1.10E+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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50127452 (5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1 Show InChI InChI=1S/C26H35N3O9S/c1-4-36-20-13-18(14-21(15-20)37-5-2)17-38-19-9-10-24-22(16-19)27-11-12-29(39(24,33)34)23(26(31)28-32)7-6-8-25(30)35-3/h9-10,13-16,23,27,32H,4-8,11-12,17H2,1-3H3,(H,28,31)/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	2.40E+4	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