BDBM23454 CHEMBL270558::hydroxamate deriv., 26::methyl (1R,2R)-2-(hydroxycarbamoyl)-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}cyclopropane-1-carboxylate

SMILES: COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1

InChI Key: InChIKey=VQLUSPJMTIROIO-CVDCTZTESA-N

Data: 2 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 2 hits for monomerid = 23454   

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))	BDBM23454 (CHEMBL270558 | hydroxamate deriv., 26 | methyl (1R...) Show SMILES COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r| Show InChI InChI=1S/C23H22N2O5/c1-14-10-15(18-8-3-4-9-20(18)24-14)13-30-17-7-5-6-16(11-17)23(22(27)29-2)12-19(23)21(26)25-28/h3-11,19,28H,12-13H2,1-2H3,(H,25,26)/t19-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair
TNF-alpha-Converting Enzyme (Homo sapiens (Human))	BDBM23454 (CHEMBL270558 | hydroxamate deriv., 26 | methyl (1R...) Show SMILES COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r| Show InChI InChI=1S/C23H22N2O5/c1-14-10-15(18-8-3-4-9-20(18)24-14)13-30-17-7-5-6-16(11-17)23(22(27)29-2)12-19(23)21(26)25-28/h3-11,19,28H,12-13H2,1-2H3,(H,25,26)/t19-,23-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	-10.7	n/a	n/a	n/a	n/a	n/a	7.3	22
Schering-Plough Research Institute					Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...				J Med Chem 51: 725-36 (2008) Article DOI: 10.1021/jm070376o BindingDB Entry DOI: 10.7270/Q2Q23XKR
					More data for this Ligand-Target Pair