BDBM50358605 CHEMBL1921893

SMILES: CC[C@H]1CN([C@H](CC)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O

InChI Key: InChIKey=IFACPBJZYFGGTF-LEWJYISDSA-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 = 50358605   

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))	BDBM50358605 (CHEMBL1921893) Show SMILES CC[C@H]1CN([C@H](CC)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O |r| Show InChI InChI=1S/C26H35ClN6O2/c1-4-20-16-33(25-17(3)30-23(14-29-25)24(28)34)21(5-2)15-32(20)22-10-12-31(13-11-22)26(35)18-6-8-19(27)9-7-18/h6-9,14,20-22H,4-5,10-13,15-16H2,1-3H3,(H2,28,34)/t20-,21+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells				Bioorg Med Chem Lett 21: 6982-6 (2011) Article DOI: 10.1016/j.bmcl.2011.09.120 BindingDB Entry DOI: 10.7270/Q2T72HVN
					More data for this Ligand-Target Pair