BDBM50127466 CHEMBL299141::{5-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl]-5-hydroxycarbamoyl-pentyl}-carbamic acid tert-butyl ester

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

InChI Key: InChIKey=QJCXYCVUFZIPQG-XMMPIXPASA-N

Data: 4 KI

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 = 50127466   

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))	BDBM50127466 (CHEMBL299141 | {5-[7-(3,5-Dimethoxy-benzyloxy)-1,1...) Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C28H40N4O9S/c1-28(2,3)41-27(34)30-11-7-6-8-24(26(33)31-35)32-13-12-29-23-17-20(9-10-25(23)42(32,36)37)40-18-19-14-21(38-4)16-22(15-19)39-5/h9-10,14-17,24,29,35H,6-8,11-13,18H2,1-5H3,(H,30,34)(H,31,33)/t24-/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	32	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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50127466 (CHEMBL299141 | {5-[7-(3,5-Dimethoxy-benzyloxy)-1,1...) Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C28H40N4O9S/c1-28(2,3)41-27(34)30-11-7-6-8-24(26(33)31-35)32-13-12-29-23-17-20(9-10-25(23)42(32,36)37)40-18-19-14-21(38-4)16-22(15-19)39-5/h9-10,14-17,24,29,35H,6-8,11-13,18H2,1-5H3,(H,30,34)(H,31,33)/t24-/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	77	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))	BDBM50127466 (CHEMBL299141 | {5-[7-(3,5-Dimethoxy-benzyloxy)-1,1...) Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C28H40N4O9S/c1-28(2,3)41-27(34)30-11-7-6-8-24(26(33)31-35)32-13-12-29-23-17-20(9-10-25(23)42(32,36)37)40-18-19-14-21(38-4)16-22(15-19)39-5/h9-10,14-17,24,29,35H,6-8,11-13,18H2,1-5H3,(H,30,34)(H,31,33)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	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))	BDBM50127466 (CHEMBL299141 | {5-[7-(3,5-Dimethoxy-benzyloxy)-1,1...) Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C28H40N4O9S/c1-28(2,3)41-27(34)30-11-7-6-8-24(26(33)31-35)32-13-12-29-23-17-20(9-10-25(23)42(32,36)37)40-18-19-14-21(38-4)16-22(15-19)39-5/h9-10,14-17,24,29,35H,6-8,11-13,18H2,1-5H3,(H,30,34)(H,31,33)/t24-/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