Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 4' and Ligand = 'BDBM50112266'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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 (Homo sapiens (Human))	BDBM50112266 (CHEMBL3608763) Show SMILES C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1 Show InChI InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 ...				ACS Med Chem Lett 6: 753-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00036 BindingDB Entry DOI: 10.7270/Q2K64KVQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50112266 (CHEMBL3608763) Show SMILES C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1 Show InChI InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assay				ACS Med Chem Lett 6: 753-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00036 BindingDB Entry DOI: 10.7270/Q2K64KVQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50112266 (CHEMBL3608763) Show SMILES C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1 Show InChI InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing eff...				ACS Med Chem Lett 6: 753-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00036 BindingDB Entry DOI: 10.7270/Q2K64KVQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50112266 (CHEMBL3608763) Show SMILES C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1 Show InChI InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HI...				ACS Med Chem Lett 6: 753-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00036 BindingDB Entry DOI: 10.7270/Q2K64KVQ
					More data for this Ligand-Target Pair