BDBM50273492 4-[1-[3-Chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid::CHEMBL457223

SMILES: Cc1ccc(F)cc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)cc1Cl

InChI Key: InChIKey=WRDAJCAOSGLLQW-SFTDATJTSA-N

Data: 2 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 2 hits for monomerid = 50273492   

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 (Homo sapiens (Human))	BDBM50273492 (4-[1-[3-Chloro-4-[N'-(5-fluoro-2-methylphenyl)urei...) Show SMILES Cc1ccc(F)cc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)cc1Cl |r| Show InChI InChI=1S/C28H26ClF2N3O5/c1-16-2-6-19(30)13-25(16)33-28(38)32-24-9-3-17(10-23(24)29)11-26(35)34-14-20(31)12-21(34)15-39-22-7-4-18(5-8-22)27(36)37/h2-10,13,20-21H,11-12,14-15H2,1H3,(H,36,37)(H2,32,33,38)/t20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Displacement of europium labeled human VCAM1 from human VLA4 expressed in 4B4 cells in presence of human serum albumin				Bioorg Med Chem 16: 9991-10000 (2008) Article DOI: 10.1016/j.bmc.2008.10.020 BindingDB Entry DOI: 10.7270/Q26H4H7H
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM50273492 (4-[1-[3-Chloro-4-[N'-(5-fluoro-2-methylphenyl)urei...) Show SMILES Cc1ccc(F)cc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)cc1Cl |r| Show InChI InChI=1S/C28H26ClF2N3O5/c1-16-2-6-19(30)13-25(16)33-28(38)32-24-9-3-17(10-23(24)29)11-26(35)34-14-20(31)12-21(34)15-39-22-7-4-18(5-8-22)27(36)37/h2-10,13,20-21H,11-12,14-15H2,1H3,(H,36,37)(H2,32,33,38)/t20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Displacement of europium labeled human VCAM1 from human VLA4 expressed in 4B4 cells				Bioorg Med Chem 16: 9991-10000 (2008) Article DOI: 10.1016/j.bmc.2008.10.020 BindingDB Entry DOI: 10.7270/Q26H4H7H
					More data for this Ligand-Target Pair