BDBM17220 2,6-quinolinyl derivative, 42::2-{[1-(4-chlorophenyl)cyclopentyl]formamido}-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid

SMILES: OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)C1(CCCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=FMUNWFDXIYAKEU-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 17220   

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
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17220 (2,6-quinolinyl derivative, 42 | 2-{[1-(4-chlorophe...) Show SMILES OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)C1(CCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H25Cl3N2O3/c31-21-10-8-20(9-11-21)30(14-1-2-15-30)29(38)35-26(28(36)37)17-18-6-12-24-19(16-18)7-13-25(34-24)27-22(32)4-3-5-23(27)33/h3-13,16,26H,1-2,14-15,17H2,(H,35,38)(H,36,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.4	22
UCB					Assay Description The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...				Bioorg Med Chem Lett 17: 142-6 (2007) Article DOI: 10.1016/j.bmcl.2006.09.069 BindingDB Entry DOI: 10.7270/Q2W957FD
					More data for this Ligand-Target Pair