BDBM50337628 ((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)-1-(2-methoxyethyl)cyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone::CHEMBL1683083

SMILES: COCC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=GXYWKFBKGZKVJL-OOICKAIWSA-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 = 50337628   

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))	BDBM50337628 (((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-...) Show SMILES COCC[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1OC)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O4/c1-34-14-7-24(6-3-19(16-24)30-20-5-13-36-17-21(20)35-2)23(33)32-11-9-31(10-12-32)22-15-18(4-8-29-22)25(26,27)28/h4,8,15,19-21,30H,3,5-7,9-14,16-17H2,1-2H3/t19-,20+,21-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
					More data for this Ligand-Target Pair