BDBM50247015 1,3-dicycloheptyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL508054

SMILES: C(S\C(NC1CCCCCC1)=N/C1CCCCCC1)C1=CSC2=NCCN12

InChI Key: InChIKey=JCVDTZFSFHPHAJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50247015   

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 4 (CXCR4) (Homo sapiens (Human))	BDBM50247015 (1,3-dicycloheptyl-2-((5,6-dihydroimidazo[2,1-b]thi...) Show SMILES C(S\C(NC1CCCCCC1)=N/C1CCCCCC1)C1=CSC2=NCCN12 |t:21,24| Show InChI InChI=1S/C21H34N4S2/c1-2-6-10-17(9-5-1)23-20(24-18-11-7-3-4-8-12-18)26-15-19-16-27-21-22-13-14-25(19)21/h16-18H,1-15H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50247015 (1,3-dicycloheptyl-2-((5,6-dihydroimidazo[2,1-b]thi...) Show SMILES C(S\C(NC1CCCCCC1)=N/C1CCCCCC1)C1=CSC2=NCCN12 |t:21,24| Show InChI InChI=1S/C21H34N4S2/c1-2-6-10-17(9-5-1)23-20(24-18-11-7-3-4-8-12-18)26-15-19-16-27-21-22-13-14-25(19)21/h16-18H,1-15H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from CXCR4 in human CEM cells				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair