BDBM50434055 CHEMBL2381215

SMILES: CC1CCCCN1CCNC(=O)c1cc2CSc3cc(Cl)ccc3-c2s1

InChI Key: InChIKey=VLKXZOWBFZWQCO-UHFFFAOYSA-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 = 50434055   

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 7 (CXCR7) (Homo sapiens (Human))	BDBM50434055 (CHEMBL2381215) Show SMILES CC1CCCCN1CCNC(=O)c1cc2CSc3cc(Cl)ccc3-c2s1 Show InChI InChI=1S/C20H23ClN2OS2/c1-13-4-2-3-8-23(13)9-7-22-20(24)18-10-14-12-25-17-11-15(21)5-6-16(17)19(14)26-18/h5-6,10-11,13H,2-4,7-9,12H2,1H3,(H,22,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign Inc. Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis				J Med Chem 56: 4236-51 (2013) Article DOI: 10.1021/jm400307y BindingDB Entry DOI: 10.7270/Q2W66N54
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