BDBM50315287 (R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL1093149

SMILES: NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12

InChI Key: InChIKey=WVLHHLRVNDMIAR-LJQANCHMSA-N

Data: 4 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 4 hits for monomerid = 50315287   

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))	BDBM50315287 ((R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50315287 ((R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to human CXCR4 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 3026-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.118 BindingDB Entry DOI: 10.7270/Q2J67H2D
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50315287 ((R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50315287 ((R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair