Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50012828   

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))	BDBM50123138 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(F)cn1 Show InChI InChI=1S/C30H41F2N5O2/c1-2-11-37(30-33-16-25(32)17-34-30)26-9-12-35(13-10-26)18-23-19-36(28(29(38)39)14-21-5-3-6-21)20-27(23)22-7-4-8-24(31)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,38,39)/t23-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123129 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(cn1)C(F)(F)F Show InChI InChI=1S/C31H41F4N5O2/c1-2-11-40(30-36-16-24(17-37-30)31(33,34)35)26-9-12-38(13-10-26)18-23-19-39(28(29(41)42)14-21-5-3-6-21)20-27(23)22-7-4-8-25(32)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,41,42)/t23-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50105543 (Allyl-{1-[(3S,4S)-1-(2-chloro-benzoyl)-4-phenyl-py...) Show SMILES [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)c3ccccc3Cl)CC2)cc1 Show InChI InChI=1S/C34H37ClN4O5/c1-2-18-38(34(41)44-24-25-12-14-29(15-13-25)39(42)43)28-16-19-36(20-17-28)21-27-22-37(23-31(27)26-8-4-3-5-9-26)33(40)30-10-6-7-11-32(30)35/h2-15,27-28,31H,1,16-24H2/t27-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123130 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1nccc(OC)n1 Show InChI InChI=1S/C31H44FN5O3/c1-3-14-37(31-33-13-10-29(34-31)40-2)26-11-15-35(16-12-26)19-24-20-36(28(30(38)39)17-22-6-4-7-22)21-27(24)23-8-5-9-25(32)18-23/h5,8-10,13,18,22,24,26-28H,3-4,6-7,11-12,14-17,19-21H2,1-2H3,(H,38,39)/t24-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123132 ((R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(cyclopropylmethy...) Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ncccn2)[C@H](C1)c1cccc(F)c1 Show InChI InChI=1S/C31H42FN5O2/c32-26-7-2-6-24(17-26)28-21-36(29(30(38)39)16-22-4-1-5-22)20-25(28)19-35-14-10-27(11-15-35)37(18-23-8-9-23)31-33-12-3-13-34-31/h2-3,6-7,12-13,17,22-23,25,27-29H,1,4-5,8-11,14-16,18-21H2,(H,38,39)/t25-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123148 ((R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ccncn1 Show InChI InChI=1S/C30H42FN5O2/c1-2-13-36(29-9-12-32-21-33-29)26-10-14-34(15-11-26)18-24-19-35(28(30(37)38)16-22-5-3-6-22)20-27(24)23-7-4-8-25(31)17-23/h4,7-9,12,17,21-22,24,26-28H,2-3,5-6,10-11,13-16,18-20H2,1H3,(H,37,38)/t24-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123141 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1nccc(n1)C(F)(F)F Show InChI InChI=1S/C31H41F4N5O2/c1-2-13-40(30-36-12-9-28(37-30)31(33,34)35)25-10-14-38(15-11-25)18-23-19-39(27(29(41)42)16-21-5-3-6-21)20-26(23)22-7-4-8-24(32)17-22/h4,7-9,12,17,21,23,25-27H,2-3,5-6,10-11,13-16,18-20H2,1H3,(H,41,42)/t23-,26+,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123140 ((R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(ethyl-pyrimidin-...) Show SMILES CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1 Show InChI InChI=1S/C29H40FN5O2/c1-2-35(29-31-12-5-13-32-29)25-10-14-33(15-11-25)18-23-19-34(27(28(36)37)16-21-6-3-7-21)20-26(23)22-8-4-9-24(30)17-22/h4-5,8-9,12-13,17,21,23,25-27H,2-3,6-7,10-11,14-16,18-20H2,1H3,(H,36,37)/t23-,26+,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123135 ((R)-Cyclohexyl-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 Show InChI InChI=1S/C31H44FN5O2/c1-2-16-37(31-33-14-7-15-34-31)27-12-17-35(18-13-27)20-25-21-36(22-28(25)24-10-6-11-26(32)19-24)29(30(38)39)23-8-4-3-5-9-23/h6-7,10-11,14-15,19,23,25,27-29H,2-5,8-9,12-13,16-18,20-22H2,1H3,(H,38,39)/t25-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123127 ((R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1cncnc1 Show InChI InChI=1S/C30H42FN5O2/c1-2-11-36(27-16-32-21-33-17-27)26-9-12-34(13-10-26)18-24-19-35(29(30(37)38)14-22-5-3-6-22)20-28(24)23-7-4-8-25(31)15-23/h4,7-8,15-17,21-22,24,26,28-29H,2-3,5-6,9-14,18-20H2,1H3,(H,37,38)/t24-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123136 ((R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1 |r| Show InChI InChI=1S/C30H42FN5O2/c1-2-14-36(30-32-12-5-13-33-30)26-10-15-34(16-11-26)19-24-20-35(28(29(37)38)17-22-6-3-7-22)21-27(24)23-8-4-9-25(31)18-23/h4-5,8-9,12-13,18,22,24,26-28H,2-3,6-7,10-11,14-17,19-21H2,1H3,(H,37,38)/t24-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123134 ((R)-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyri...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ccccn1 Show InChI InChI=1S/C32H46N4O2/c1-2-19-36(30-15-9-10-18-33-30)28-16-20-34(21-17-28)22-27-23-35(24-29(27)25-11-5-3-6-12-25)31(32(37)38)26-13-7-4-8-14-26/h3,5-6,9-12,15,18,26-29,31H,2,4,7-8,13-14,16-17,19-24H2,1H3,(H,37,38)/t27-,29+,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123147 ((R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1cccnc1 |r| Show InChI InChI=1S/C32H46N4O2/c1-2-18-36(29-14-9-17-33-21-29)28-15-19-34(20-16-28)22-27-23-35(24-30(27)25-10-5-3-6-11-25)31(32(37)38)26-12-7-4-8-13-26/h3,5-6,9-11,14,17,21,26-28,30-31H,2,4,7-8,12-13,15-16,18-20,22-24H2,1H3,(H,37,38)/t27-,30+,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123131 (CHEMBL137419 | {(3S,4S)-3-[4-(Allyl-pyridin-2-yl-a...) Show SMILES C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccn1 Show InChI InChI=1S/C31H42N4O/c1-2-19-35(30-15-9-10-18-32-30)28-16-20-33(21-17-28)22-27-23-34(31(36)26-13-7-4-8-14-26)24-29(27)25-11-5-3-6-12-25/h2-3,5-6,9-12,15,18,26-29H,1,4,7-8,13-14,16-17,19-24H2/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123142 ((R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 |r| Show InChI InChI=1S/C31H45N5O2/c1-2-18-36(31-32-16-9-17-33-31)27-14-19-34(20-15-27)21-26-22-35(23-28(26)24-10-5-3-6-11-24)29(30(37)38)25-12-7-4-8-13-25/h3,5-6,9-11,16-17,25-29H,2,4,7-8,12-15,18-23H2,1H3,(H,37,38)/t26-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123146 (((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)N2CCCC2)CC1)c1ccccn1 |r| Show InChI InChI=1S/C29H41N5O/c1-2-16-34(28-12-6-7-15-30-28)26-13-19-31(20-14-26)21-25-22-33(29(35)32-17-8-9-18-32)23-27(25)24-10-4-3-5-11-24/h3-7,10-12,15,25-27H,2,8-9,13-14,16-23H2,1H3/t25-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123145 (CHEMBL136977 | Cyclohexyl-{(3S,4S)-3-[4-(cycloprop...) Show SMILES O=C(C1CCCCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ccccn2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C32H44N4O/c37-32(27-11-5-2-6-12-27)35-23-28(30(24-35)26-9-3-1-4-10-26)22-34-19-16-29(17-20-34)36(21-25-14-15-25)31-13-7-8-18-33-31/h1,3-4,7-10,13,18,25,27-30H,2,5-6,11-12,14-17,19-24H2/t28-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123149 (CHEMBL138645 | Cyclobutyl-{(3S,4S)-3-phenyl-4-[4-(...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCC2)CC1)c1ccccn1 |r| Show InChI InChI=1S/C29H40N4O/c1-2-17-33(28-13-6-7-16-30-28)26-14-18-31(19-15-26)20-25-21-32(29(34)24-11-8-12-24)22-27(25)23-9-4-3-5-10-23/h3-7,9-10,13,16,24-27H,2,8,11-12,14-15,17-22H2,1H3/t25-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123127 ((R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1cncnc1 Show InChI InChI=1S/C30H42FN5O2/c1-2-11-36(27-16-32-21-33-17-27)26-9-12-34(13-10-26)18-24-19-35(29(30(37)38)14-22-5-3-6-22)20-28(24)23-7-4-8-25(31)15-23/h4,7-8,15-17,21-22,24,26,28-29H,2-3,5-6,9-14,18-20H2,1H3,(H,37,38)/t24-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123131 (CHEMBL137419 | {(3S,4S)-3-[4-(Allyl-pyridin-2-yl-a...) Show SMILES C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccn1 Show InChI InChI=1S/C31H42N4O/c1-2-19-35(30-15-9-10-18-32-30)28-16-20-33(21-17-28)22-27-23-34(31(36)26-13-7-4-8-14-26)24-29(27)25-11-5-3-6-12-25/h2-3,5-6,9-12,15,18,26-29H,1,4,7-8,13-14,16-17,19-24H2/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123136 ((R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1 |r| Show InChI InChI=1S/C30H42FN5O2/c1-2-14-36(30-32-12-5-13-33-30)26-10-15-34(16-11-26)19-24-20-35(28(29(37)38)17-22-6-3-7-22)21-27(24)23-8-4-9-25(31)18-23/h4-5,8-9,12-13,18,22,24,26-28H,2-3,6-7,10-11,14-17,19-21H2,1H3,(H,37,38)/t24-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123132 ((R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(cyclopropylmethy...) Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ncccn2)[C@H](C1)c1cccc(F)c1 Show InChI InChI=1S/C31H42FN5O2/c32-26-7-2-6-24(17-26)28-21-36(29(30(38)39)16-22-4-1-5-22)20-25(28)19-35-14-10-27(11-15-35)37(18-23-8-9-23)31-33-12-3-13-34-31/h2-3,6-7,12-13,17,22-23,25,27-29H,1,4-5,8-11,14-16,18-21H2,(H,38,39)/t25-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123143 (CHEMBL137072 | Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccn1 |r| Show InChI InChI=1S/C31H44N4O/c1-2-19-35(30-15-9-10-18-32-30)28-16-20-33(21-17-28)22-27-23-34(31(36)26-13-7-4-8-14-26)24-29(27)25-11-5-3-6-12-25/h3,5-6,9-12,15,18,26-29H,2,4,7-8,13-14,16-17,19-24H2,1H3/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123139 (((3S,4S)-3-((4-(allyl(pyrimidin-2-yl)amino)piperid...) Show SMILES C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ncccn1 |r| Show InChI InChI=1S/C30H41N5O/c1-2-18-35(30-31-16-9-17-32-30)27-14-19-33(20-15-27)21-26-22-34(29(36)25-12-7-4-8-13-25)23-28(26)24-10-5-3-6-11-24/h2-3,5-6,9-11,16-17,25-28H,1,4,7-8,12-15,18-23H2/t26-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123126 (((3S,4S)-3-((4-(allyl(pyridin-3-yl)amino)piperidin...) Show SMILES C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1cccnc1 |r| Show InChI InChI=1S/C31H42N4O/c1-2-18-35(29-14-9-17-32-21-29)28-15-19-33(20-16-28)22-27-23-34(31(36)26-12-7-4-8-13-26)24-30(27)25-10-5-3-6-11-25/h2-3,5-6,9-11,14,17,21,26-28,30H,1,4,7-8,12-13,15-16,18-20,22-24H2/t27-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123139 (((3S,4S)-3-((4-(allyl(pyrimidin-2-yl)amino)piperid...) Show SMILES C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ncccn1 |r| Show InChI InChI=1S/C30H41N5O/c1-2-18-35(30-31-16-9-17-32-30)27-14-19-33(20-15-27)21-26-22-34(29(36)25-12-7-4-8-13-25)23-28(26)24-10-5-3-6-11-24/h2-3,5-6,9-11,16-17,25-28H,1,4,7-8,12-15,18-23H2/t26-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123133 ((2-Chloro-phenyl)-{(3S,4S)-3-phenyl-4-[4-(propyl-p...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)c1ccccn1 Show InChI InChI=1S/C31H37ClN4O/c1-2-18-36(30-14-8-9-17-33-30)26-15-19-34(20-16-26)21-25-22-35(23-28(25)24-10-4-3-5-11-24)31(37)27-12-6-7-13-29(27)32/h3-14,17,25-26,28H,2,15-16,18-23H2,1H3/t25-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123128 (((3S,4S)-3-{4-[Allyl-(5-trifluoromethyl-pyridin-2-...) Show SMILES FC(F)(F)c1ccc(nc1)N(CC=C)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1 Show InChI InChI=1S/C32H41F3N4O/c1-2-17-39(30-14-13-27(20-36-30)32(33,34)35)28-15-18-37(19-16-28)21-26-22-38(31(40)25-11-7-4-8-12-25)23-29(26)24-9-5-3-6-10-24/h2-3,5-6,9-10,13-14,20,25-26,28-29H,1,4,7-8,11-12,15-19,21-23H2/t26-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123126 (((3S,4S)-3-((4-(allyl(pyridin-3-yl)amino)piperidin...) Show SMILES C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1cccnc1 |r| Show InChI InChI=1S/C31H42N4O/c1-2-18-35(29-14-9-17-32-21-29)28-15-19-33(20-16-28)22-27-23-34(31(36)26-12-7-4-8-13-26)24-30(27)25-10-5-3-6-11-25/h2-3,5-6,9-11,14,17,21,26-28,30H,1,4,7-8,12-13,15-16,18-20,22-24H2/t27-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123145 (CHEMBL136977 | Cyclohexyl-{(3S,4S)-3-[4-(cycloprop...) Show SMILES O=C(C1CCCCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ccccn2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C32H44N4O/c37-32(27-11-5-2-6-12-27)35-23-28(30(24-35)26-9-3-1-4-10-26)22-34-19-16-29(17-20-34)36(21-25-14-15-25)31-13-7-8-18-33-31/h1,3-4,7-10,13,18,25,27-30H,2,5-6,11-12,14-17,19-24H2/t28-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123148 ((R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ccncn1 Show InChI InChI=1S/C30H42FN5O2/c1-2-13-36(29-9-12-32-21-33-29)26-10-14-34(15-11-26)18-24-19-35(28(30(37)38)16-22-5-3-6-22)20-27(24)23-7-4-8-25(31)17-23/h4,7-9,12,17,21-22,24,26-28H,2-3,5-6,10-11,13-16,18-20H2,1H3,(H,37,38)/t24-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123142 ((R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 |r| Show InChI InChI=1S/C31H45N5O2/c1-2-18-36(31-32-16-9-17-33-31)27-14-19-34(20-15-27)21-26-22-35(23-28(26)24-10-5-3-6-11-24)29(30(37)38)25-12-7-4-8-13-25/h3,5-6,9-11,16-17,25-29H,2,4,7-8,12-15,18-23H2,1H3,(H,37,38)/t26-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123135 ((R)-Cyclohexyl-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 Show InChI InChI=1S/C31H44FN5O2/c1-2-16-37(31-33-14-7-15-34-31)27-12-17-35(18-13-27)20-25-21-36(22-28(25)24-10-6-11-26(32)19-24)29(30(38)39)23-8-4-3-5-9-23/h6-7,10-11,14-15,19,23,25,27-29H,2-5,8-9,12-13,16-18,20-22H2,1H3,(H,38,39)/t25-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123147 ((R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1cccnc1 |r| Show InChI InChI=1S/C32H46N4O2/c1-2-18-36(29-14-9-17-33-21-29)28-15-19-34(20-16-28)22-27-23-35(24-30(27)25-10-5-3-6-11-25)31(32(37)38)26-12-7-4-8-13-26/h3,5-6,9-11,14,17,21,26-28,30-31H,2,4,7-8,12-13,15-16,18-20,22-24H2,1H3,(H,37,38)/t27-,30+,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123138 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(F)cn1 Show InChI InChI=1S/C30H41F2N5O2/c1-2-11-37(30-33-16-25(32)17-34-30)26-9-12-35(13-10-26)18-23-19-36(28(29(38)39)14-21-5-3-6-21)20-27(23)22-7-4-8-24(31)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,38,39)/t23-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123128 (((3S,4S)-3-{4-[Allyl-(5-trifluoromethyl-pyridin-2-...) Show SMILES FC(F)(F)c1ccc(nc1)N(CC=C)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1 Show InChI InChI=1S/C32H41F3N4O/c1-2-17-39(30-14-13-27(20-36-30)32(33,34)35)28-15-18-37(19-16-28)21-26-22-38(31(40)25-11-7-4-8-12-25)23-29(26)24-9-5-3-6-10-24/h2-3,5-6,9-10,13-14,20,25-26,28-29H,1,4,7-8,11-12,15-19,21-23H2/t26-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123137 (CHEMBL137154 | {(3S,4S)-3-[4-(Allyl-phenyl-amino)-...) Show SMILES C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccc1 Show InChI InChI=1S/C32H43N3O/c1-2-20-35(29-16-10-5-11-17-29)30-18-21-33(22-19-30)23-28-24-34(32(36)27-14-8-4-9-15-27)25-31(28)26-12-6-3-7-13-26/h2-3,5-7,10-13,16-17,27-28,30-31H,1,4,8-9,14-15,18-25H2/t28-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123144 (((3S,4S)-3-((4-(allyl(pyridin-4-yl)amino)piperidin...) Show SMILES C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccncc1 |r| Show InChI InChI=1S/C31H42N4O/c1-2-19-35(28-13-17-32-18-14-28)29-15-20-33(21-16-29)22-27-23-34(31(36)26-11-7-4-8-12-26)24-30(27)25-9-5-3-6-10-25/h2-3,5-6,9-10,13-14,17-18,26-27,29-30H,1,4,7-8,11-12,15-16,19-24H2/t27-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123134 ((R)-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyri...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ccccn1 Show InChI InChI=1S/C32H46N4O2/c1-2-19-36(30-15-9-10-18-33-30)28-16-20-34(21-17-28)22-27-23-35(24-29(27)25-11-5-3-6-12-25)31(32(37)38)26-13-7-4-8-14-26/h3,5-6,9-12,15,18,26-29,31H,2,4,7-8,13-14,16-17,19-24H2,1H3,(H,37,38)/t27-,29+,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123129 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(cn1)C(F)(F)F Show InChI InChI=1S/C31H41F4N5O2/c1-2-11-40(30-36-16-24(17-37-30)31(33,34)35)26-9-12-38(13-10-26)18-23-19-39(28(29(41)42)14-21-5-3-6-21)20-27(23)22-7-4-8-25(32)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,41,42)/t23-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123143 (CHEMBL137072 | Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccn1 |r| Show InChI InChI=1S/C31H44N4O/c1-2-19-35(30-15-9-10-18-32-30)28-16-20-33(21-17-28)22-27-23-34(31(36)26-13-7-4-8-14-26)24-29(27)25-11-5-3-6-12-25/h3,5-6,9-12,15,18,26-29H,2,4,7-8,13-14,16-17,19-24H2,1H3/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123140 ((R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(ethyl-pyrimidin-...) Show SMILES CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1 Show InChI InChI=1S/C29H40FN5O2/c1-2-35(29-31-12-5-13-32-29)25-10-14-33(15-11-25)18-23-19-34(27(28(36)37)16-21-6-3-7-21)20-26(23)22-8-4-9-24(30)17-22/h4-5,8-9,12-13,17,21,23,25-27H,2-3,6-7,10-11,14-16,18-20H2,1H3,(H,36,37)/t23-,26+,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123130 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1nccc(OC)n1 Show InChI InChI=1S/C31H44FN5O3/c1-3-14-37(31-33-13-10-29(34-31)40-2)26-11-15-35(16-12-26)19-24-20-36(28(30(38)39)17-22-6-4-7-22)21-27(24)23-8-5-9-25(32)18-23/h5,8-10,13,18,22,24,26-28H,3-4,6-7,11-12,14-17,19-21H2,1-2H3,(H,38,39)/t24-,27+,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123133 ((2-Chloro-phenyl)-{(3S,4S)-3-phenyl-4-[4-(propyl-p...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)c1ccccn1 Show InChI InChI=1S/C31H37ClN4O/c1-2-18-36(30-14-8-9-17-33-30)26-15-19-34(20-16-26)21-25-22-35(23-28(25)24-10-4-3-5-11-24)31(37)27-12-6-7-13-29(27)32/h3-14,17,25-26,28H,2,15-16,18-23H2,1H3/t25-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123149 (CHEMBL138645 | Cyclobutyl-{(3S,4S)-3-phenyl-4-[4-(...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCC2)CC1)c1ccccn1 |r| Show InChI InChI=1S/C29H40N4O/c1-2-17-33(28-13-6-7-16-30-28)26-14-18-31(19-15-26)20-25-21-32(29(34)24-11-8-12-24)22-27(25)23-9-4-3-5-10-23/h3-7,9-10,13,16,24-27H,2,8,11-12,14-15,17-22H2,1H3/t25-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123146 (((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)N2CCCC2)CC1)c1ccccn1 |r| Show InChI InChI=1S/C29H41N5O/c1-2-16-34(28-12-6-7-15-30-28)26-13-19-31(20-14-26)21-25-22-33(29(35)32-17-8-9-18-32)23-27(25)24-10-4-3-5-11-24/h3-7,10-12,15,25-27H,2,8-9,13-14,16-23H2,1H3/t25-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123141 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1nccc(n1)C(F)(F)F Show InChI InChI=1S/C31H41F4N5O2/c1-2-13-40(30-36-12-9-28(37-30)31(33,34)35)25-10-14-38(15-11-25)18-23-19-39(27(29(41)42)16-21-5-3-6-21)20-26(23)22-7-4-8-24(32)17-22/h4,7-9,12,17,21,23,25-27H,2-3,5-6,10-11,13-16,18-20H2,1H3,(H,41,42)/t23-,26+,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5				Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW
					More data for this Ligand-Target Pair