BDBM50440549 CHEMBL2426351

SMILES: COc1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=RQTUVSVQNVSIKU-FNFJCYJNSA-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 = 50440549   

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))	BDBM50440549 (CHEMBL2426351) Show SMILES COc1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F6N2O2/c1-16(2)26(9-8-21(14-26)36-24-7-4-18-12-22(38-3)5-6-23(18)24)25(37)35-15-17-10-19(27(29,30)31)13-20(11-17)28(32,33)34/h5-6,10-13,16,21,24,36H,4,7-9,14-15H2,1-3H3,(H,35,37)/t21-,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	6.10	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