BDBM50358636 CHEMBL1921885

SMILES: CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C)C(N)=O

InChI Key: InChIKey=WUPWWBOWFCZANR-HNNXBMFYSA-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 = 50358636   

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))	BDBM50358636 (CHEMBL1921885) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C)C(N)=O |r| Show InChI InChI=1S/C23H31ClN8O2/c1-3-15-13-31(22-14(2)28-18(12-27-22)21(26)33)10-11-32(15)16-6-8-30(9-7-16)23(34)17-4-5-19(24)29-20(17)25/h4-5,12,15-16H,3,6-11,13H2,1-2H3,(H2,25,29)(H2,26,33)/t15-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	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