BDBM50076994 (2S,11S,12R)-12-Isobutyl-13-oxo-7-(2,4,6-trimethyl-benzenesulfonyl)-1,7diaza-cyclotridecane-2,11-dicarboxylic acid 11-hydroxyamide 2-methylamide::CHEMBL277658

SMILES: CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1c(C)cc(C)cc1C

InChI Key: InChIKey=KOLIYILUYWKKNC-ZRBLBEILSA-N

Data: 3 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 3 hits for monomerid = 50076994   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50076994 ((2S,11S,12R)-12-Isobutyl-13-oxo-7-(2,4,6-trimethyl...) Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C27H44N4O6S/c1-17(2)14-22-21(26(33)30-35)10-9-13-31(12-8-7-11-23(27(34)28-6)29-25(22)32)38(36,37)24-19(4)15-18(3)16-20(24)5/h15-17,21-23,35H,7-14H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)/t21-,22+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceutical Co. Curated by ChEMBL					Assay Description Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B)				Bioorg Med Chem Lett 9: 1279-84 (1999) BindingDB Entry DOI: 10.7270/Q2T43TK4
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50076994 ((2S,11S,12R)-12-Isobutyl-13-oxo-7-(2,4,6-trimethyl...) Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C27H44N4O6S/c1-17(2)14-22-21(26(33)30-35)10-9-13-31(12-8-7-11-23(27(34)28-6)29-25(22)32)38(36,37)24-19(4)15-18(3)16-20(24)5/h15-17,21-23,35H,7-14H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)/t21-,22+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceutical Co. Curated by ChEMBL					Assay Description Inhibition of MMP-1 (human fibroblast collagenase)				Bioorg Med Chem Lett 9: 1279-84 (1999) BindingDB Entry DOI: 10.7270/Q2T43TK4
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50076994 ((2S,11S,12R)-12-Isobutyl-13-oxo-7-(2,4,6-trimethyl...) Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C27H44N4O6S/c1-17(2)14-22-21(26(33)30-35)10-9-13-31(12-8-7-11-23(27(34)28-6)29-25(22)32)38(36,37)24-19(4)15-18(3)16-20(24)5/h15-17,21-23,35H,7-14H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)/t21-,22+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceutical Co. Curated by ChEMBL					Assay Description Inhibition of MMP-3 (human fibroblast stromelysin)				Bioorg Med Chem Lett 9: 1279-84 (1999) BindingDB Entry DOI: 10.7270/Q2T43TK4
					More data for this Ligand-Target Pair