Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50441707'   

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))	BDBM50441707 (CHEMBL2435883) Show SMILES C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated f...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50441707 (CHEMBL2435883) Show SMILES C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50441707 (CHEMBL2435883) Show SMILES C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Displacement of [125I]-RANTES from CCR5 (unknown origin) expressed in HEK293F cell membranes after 45 mins by microbeta jet liquid scintillation coun...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50441707 (CHEMBL2435883) Show SMILES C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated f...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50441707 (CHEMBL2435883) Show SMILES C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50441707 (CHEMBL2435883) Show SMILES C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Displacement of [125I]-RANTES from CCR5 (unknown origin) expressed in HEK293F cell membranes after 45 mins by microbeta jet liquid scintillation coun...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair