BDBM26536 (1S,3R)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid::carboxylate-spirocyclopropyl compound, 21

SMILES: OC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1

InChI Key: InChIKey=BFZXMIUWGSTUAL-WMKGGLNKSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 26536   

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
TNF-alpha-Converting Enzyme (Homo sapiens (Human))	BDBM26536 ((1S,3R)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy...) Show SMILES OC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C29H24N2O4/c32-27(33)23-15-29(23)16-26(31-28(29)34)19-10-12-21(13-11-19)35-17-20-14-25(18-6-2-1-3-7-18)30-24-9-5-4-8-22(20)24/h1-14,23,26H,15-17H2,(H,31,34)(H,32,33)/t23-,26?,29-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	143	-9.24	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 ...				Bioorg Med Chem Lett 19: 54-7 (2009) Article DOI: 10.1016/j.bmcl.2008.11.034 BindingDB Entry DOI: 10.7270/Q2JH3JH7
					More data for this Ligand-Target Pair				3D Structure (crystal)