BDBM50246351 (+/-)-1-(4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl)-2-hydroxyethyl)piperidin-1-yl)-3-(3,5-difluorophenyl)prop-2-en-1-one::CHEMBL508015

SMILES: OCC(C1CCN(CC1)C(=O)C=Cc1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ncccc12

InChI Key: InChIKey=JWWBRTLPEUWQCU-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 = 50246351   

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
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50246351 ((+/-)-1-(4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pi...) Show SMILES OCC(C1CCN(CC1)C(=O)C=Cc1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |w:11.11| Show InChI InChI=1S/C28H32F2N4O2/c29-22-14-19(15-23(30)16-22)3-4-27(36)34-12-7-21(8-13-34)26(18-35)33-10-5-20(6-11-33)25-17-32-28-24(25)2-1-9-31-28/h1-4,9,14-17,20-21,26,35H,5-8,10-13,18H2,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human CCR2				Bioorg Med Chem Lett 18: 6468-70 (2008) Article DOI: 10.1016/j.bmcl.2008.10.061 BindingDB Entry DOI: 10.7270/Q2V40V1J
					More data for this Ligand-Target Pair