Compile Data Set for Download or QSAR

Found 18 hits of kd data for polymerid = 50002103,50004799,50004800,50005700,7256   

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))	BDBM50267124 (CHEMBL2163486) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,@@:7,THB:9:7:3.2:18| Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in HEK 293 Glosensor cells assessed as reduction in RANTES-induced intracellular calcium levels preincuba...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50336345 (4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...) Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
National Heart and Lung Institute Curated by ChEMBL					Assay Description Binding affinity to CCR5				J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50339033 (5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...) Show SMILES CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F |r| Show InChI InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Activation of CCR5 in human PBMC cells				ACS Med Chem Lett 1: 483-487 (2010) Article DOI: 10.1021/ml1001536 BindingDB Entry DOI: 10.7270/Q2SQ90PC
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50267125 (CHEMBL4089991) Show SMILES [H][C@@]12CCc3nnc(C)n3[C@]1([H])CCN(CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1)C2 |r| Show InChI InChI=1S/C26H35F2N5O/c1-18-30-31-24-8-7-21-17-32(16-12-23(21)33(18)24)15-11-22(19-5-3-2-4-6-19)29-25(34)20-9-13-26(27,28)14-10-20/h2-6,20-23H,7-17H2,1H3,(H,29,34)/t21-,22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in HEK 293 Glosensor cells assessed as reduction in RANTES-induced intracellular calcium levels preincuba...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Mus musculus)	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to CCR5 in NY1DD transgenic mouse brain membrane				Proc Natl Acad Sci U S A 104: 6061-5 (2007) Article DOI: 10.1073/pnas.0700295104 BindingDB Entry DOI: 10.7270/Q2SN08RG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Mus musculus)	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to CCR5 in C57BL/6J mouse brain membrane				Proc Natl Acad Sci U S A 104: 6061-5 (2007) Article DOI: 10.1073/pnas.0700295104 BindingDB Entry DOI: 10.7270/Q2SN08RG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50509860 (CHEMBL4442783) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to CCR5 in T-cell (unknown origin)				ACS Med Chem Lett 10: 300-305 (2019) Article DOI: 10.1021/acsmedchemlett.8b00439 BindingDB Entry DOI: 10.7270/Q22R3W0Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to CCR5				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50267126 (CHEMBL4068906) Show SMILES [H][C@]12CCc3nnc(C)n3[C@@]1([H])CCN(CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1)C2 |r| Show InChI InChI=1S/C26H35F2N5O/c1-18-30-31-24-8-7-21-17-32(16-12-23(21)33(18)24)15-11-22(19-5-3-2-4-6-19)29-25(34)20-9-13-26(27,28)14-10-20/h2-6,20-23H,7-17H2,1H3,(H,29,34)/t21-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in HEK 293 Glosensor cells assessed as reduction in RANTES-induced intracellular calcium levels preincuba...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50378981 (CHEMBL2011439) Show SMILES Brc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1 Show InChI InChI=1S/C20H19BrN2O/c21-18-9-10-20(24-15-16-6-2-1-3-7-16)17(12-18)13-22-14-19-8-4-5-11-23-19/h1-12,22H,13-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50378980 (CHEMBL1618631) Show SMILES CC(C)NCc1cc(Br)ccc1OCc1ccccc1 Show InChI InChI=1S/C17H20BrNO/c1-13(2)19-11-15-10-16(18)8-9-17(15)20-12-14-6-4-3-5-7-14/h3-10,13,19H,11-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50378978 (CHEMBL2011440) Show SMILES COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C9H6Cl3N3O3S2/c1-18-9-8(13-6(11)7(12)14-9)15-20(16,17)5-3-2-4(10)19-5/h2-3H,1H3,(H,13,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 after 1 min by SPR assay				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50378978 (CHEMBL2011440) Show SMILES COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C9H6Cl3N3O3S2/c1-18-9-8(13-6(11)7(12)14-9)15-20(16,17)5-3-2-4(10)19-5/h2-3H,1H3,(H,13,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50378983 (CHEMBL1907216) Show SMILES Brc1ccc(OCc2ccccc2)c(CNCC2CCCO2)c1 Show InChI InChI=1S/C19H22BrNO2/c20-17-8-9-19(23-14-15-5-2-1-3-6-15)16(11-17)12-21-13-18-7-4-10-22-18/h1-3,5-6,8-9,11,18,21H,4,7,10,12-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50378979 (CHEMBL2011441) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50378982 (CHEMBL1623307) Show SMILES CC(C)(CO)NCc1cc(Br)ccc1OCc1ccccc1 Show InChI InChI=1S/C18H22BrNO2/c1-18(2,13-21)20-11-15-10-16(19)8-9-17(15)22-12-14-6-4-3-5-7-14/h3-10,20-21H,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50378979 (CHEMBL2011441) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.86E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 after 1 min by SPR assay				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50378977 (CHEMBL1621896) Show SMILES COc1ccc(Br)cc1CN1CCCC(C1)C(=O)N1CCCCC1 Show InChI InChI=1S/C19H27BrN2O2/c1-24-18-8-7-17(20)12-16(18)14-21-9-5-6-15(13-21)19(23)22-10-3-2-4-11-22/h7-8,12,15H,2-6,9-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair