BDBM50127470 2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl]-N-hydroxy-3-methyl-butyramide::CHEMBL295710

SMILES: COc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1

InChI Key: InChIKey=YHQKAILNGYAYKF-OAQYLSRUSA-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 = 50127470   

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))	BDBM50127470 (2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...) Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C22H29N3O7S/c1-14(2)21(22(26)24-27)25-8-7-23-19-12-16(5-6-20(19)33(25,28)29)32-13-15-9-17(30-3)11-18(10-15)31-4/h5-6,9-12,14,21,23,27H,7-8,13H2,1-4H3,(H,24,26)/t21-/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	10	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))	BDBM50127470 (2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...) Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C22H29N3O7S/c1-14(2)21(22(26)24-27)25-8-7-23-19-12-16(5-6-20(19)33(25,28)29)32-13-15-9-17(30-3)11-18(10-15)31-4/h5-6,9-12,14,21,23,27H,7-8,13H2,1-4H3,(H,24,26)/t21-/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	647	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))	BDBM50127470 (2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...) Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C22H29N3O7S/c1-14(2)21(22(26)24-27)25-8-7-23-19-12-16(5-6-20(19)33(25,28)29)32-13-15-9-17(30-3)11-18(10-15)31-4/h5-6,9-12,14,21,23,27H,7-8,13H2,1-4H3,(H,24,26)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	981	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))	BDBM50127470 (2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...) Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C22H29N3O7S/c1-14(2)21(22(26)24-27)25-8-7-23-19-12-16(5-6-20(19)33(25,28)29)32-13-15-9-17(30-3)11-18(10-15)31-4/h5-6,9-12,14,21,23,27H,7-8,13H2,1-4H3,(H,24,26)/t21-/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))	BDBM50127470 (2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...) Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C22H29N3O7S/c1-14(2)21(22(26)24-27)25-8-7-23-19-12-16(5-6-20(19)33(25,28)29)32-13-15-9-17(30-3)11-18(10-15)31-4/h5-6,9-12,14,21,23,27H,7-8,13H2,1-4H3,(H,24,26)/t21-/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	4.00E+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