BDBM50337236 (S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-methylpiperazin-1-yl)-N-ethylnicotinamide::CHEMBL1681868

SMILES: CCNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1

InChI Key: InChIKey=AHGWRVSBIUYYIH-SFHVURJKSA-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 = 50337236   

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-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50337236 ((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...) Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C25H33Cl2N5O/c1-3-28-25(33)20-14-23(27)24(29-15-20)31-12-13-32(18(2)16-31)22-8-10-30(11-9-22)17-19-4-6-21(26)7-5-19/h4-7,14-15,18,22H,3,8-13,16-17H2,1-2H3,(H,28,33)/t18-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3				Bioorg Med Chem Lett 21: 1527-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.114 BindingDB Entry DOI: 10.7270/Q2CZ37FJ
					More data for this Ligand-Target Pair