Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50014512   

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-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143741 ((4,6-dimethyl-1-oxy-pyrimidin-5-yl)-(4-diphenylami...) Show SMILES Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Migration of compound was evaluated in cellmigration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blo...				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143736 ((2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[...) Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Migration of compound was evaluated in cellmigration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blo...				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143746 ((4,6-Dimethyl-2-phenyl-pyrimidin-5-yl)-(4-diphenyl...) Show SMILES Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C36H41N5O/c1-27-33(28(2)38-34(37-27)29-13-7-4-8-14-29)35(42)39-25-21-36(3,22-26-39)40-23-19-32(20-24-40)41(30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-18,32H,19-26H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Migration of compound was evaluated in cellmigration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blo...				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50143747 ((4,6-Dimethyl-2-pyridin-4-yl-pyrimidin-5-yl)-(4-di...) Show SMILES Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C35H40N6O/c1-26-32(27(2)38-33(37-26)28-14-20-36-21-15-28)34(42)39-24-18-35(3,19-25-39)40-22-16-31(17-23-40)41(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-15,20-21,31H,16-19,22-25H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Migration of compound was evaluated in cellmigration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blo...				J Med Chem 47: 1939-55 (2004) Article DOI: 10.1021/jm031046g BindingDB Entry DOI: 10.7270/Q2V12478
					More data for this Ligand-Target Pair