BDBM50446654 CHEMBL3116473

SMILES: CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1ncon1

InChI Key: InChIKey=BDSGFLHMKUKCCT-FQEVSTJZSA-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 = 50446654   

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
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50446654 (CHEMBL3116473) Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1ncon1 |r| Show InChI InChI=1S/C25H29Cl2FN6O/c1-2-20-15-33(25-22(27)11-18(13-29-25)24-30-16-35-31-24)9-10-34(20)21-5-7-32(8-6-21)14-17-3-4-19(26)12-23(17)28/h3-4,11-13,16,20-21H,2,5-10,14-15H2,1H3/t20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	286	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CXCR3 receptor				Bioorg Med Chem Lett 24: 1085-8 (2014) Article DOI: 10.1016/j.bmcl.2014.01.009 BindingDB Entry DOI: 10.7270/Q2BZ67JQ
					More data for this Ligand-Target Pair