BDBM50440554 CHEMBL2426357

SMILES: CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(cc12)C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=TUFZNOMZDHYLSU-OVQDZVAUSA-N

Data: 1 KI

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 = 50440554   

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 motif chemokine 2 (Homo sapiens (Human))	BDBM50440554 (CHEMBL2426357) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(cc12)C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H29F6N3O/c1-16(2)26(8-7-22(13-26)37-24-6-5-19-4-3-17(14-35)11-23(19)24)25(38)36-15-18-9-20(27(29,30)31)12-21(10-18)28(32,33)34/h3-4,9-12,16,22,24,37H,5-8,13,15H2,1-2H3,(H,36,38)/t22-,24?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair