Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50005123   

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))	BDBM50488229 (CHEMBL2281968) Show SMILES CCc1cccc(CC)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C32H38BrClN2O3/c1-3-24-6-5-7-25(4-2)30(24)36-31(37)35-21-32(38)16-14-22(15-17-32)18-26-19-27(33)10-13-29(26)39-20-23-8-11-28(34)12-9-23/h5-13,19,22,38H,3-4,14-18,20-21H2,1-2H3,(H2,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488228 (CHEMBL2281969) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 |(2.87,-23.14,;4.2,-23.91,;2.86,-24.67,;5.53,-23.14,;5.53,-21.6,;6.87,-20.84,;8.2,-21.59,;8.2,-23.13,;9.53,-23.91,;10.87,-23.14,;9.53,-25.45,;6.85,-23.9,;6.85,-25.44,;5.52,-26.21,;4.19,-25.44,;5.52,-27.75,;6.85,-28.52,;6.85,-30.06,;8.18,-29.28,;8.19,-30.83,;8.19,-32.37,;6.85,-33.14,;6.85,-34.68,;5.52,-35.45,;4.19,-34.69,;2.86,-35.46,;1.53,-34.69,;2.86,-37,;4.19,-37.77,;5.53,-37,;6.86,-37.77,;6.87,-39.31,;8.2,-40.08,;8.2,-41.61,;9.53,-42.38,;10.86,-41.61,;12.2,-42.38,;10.86,-40.06,;9.52,-39.3,;5.52,-32.38,;5.52,-30.83,)| Show InChI InChI=1S/C34H42BrClN2O3/c1-22(2)29-6-5-7-30(23(3)4)32(29)38-33(39)37-21-34(40)16-14-24(15-17-34)18-26-19-27(35)10-13-31(26)41-20-25-8-11-28(36)12-9-25/h5-13,19,22-24,40H,14-18,20-21H2,1-4H3,(H2,37,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488230 (CHEMBL2281967) Show SMILES Cc1cccc(C)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 |(55.12,-4.45,;56.45,-3.68,;56.45,-2.14,;57.79,-1.37,;59.12,-2.13,;59.12,-3.67,;60.45,-4.45,;57.77,-4.44,;57.77,-5.98,;56.44,-6.75,;55.11,-5.98,;56.44,-8.29,;57.77,-9.06,;57.77,-10.6,;59.1,-9.82,;59.11,-11.37,;59.11,-12.91,;57.77,-13.68,;57.78,-15.22,;56.44,-15.99,;55.11,-15.23,;53.78,-16,;52.45,-15.23,;53.78,-17.54,;55.11,-18.31,;56.45,-17.54,;57.78,-18.31,;57.79,-19.85,;59.12,-20.62,;59.12,-22.15,;60.45,-22.92,;61.78,-22.15,;63.12,-22.91,;61.78,-20.6,;60.44,-19.84,;56.44,-12.92,;56.44,-11.37,)| Show InChI InChI=1S/C30H34BrClN2O3/c1-20-4-3-5-21(2)28(20)34-29(35)33-19-30(36)14-12-22(13-15-30)16-24-17-25(31)8-11-27(24)37-18-23-6-9-26(32)10-7-23/h3-11,17,22,36H,12-16,18-19H2,1-2H3,(H2,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205754 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4...) Show SMILES OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C19H21BrClNO2/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-22-9-7-18(23)8-10-22/h1-6,11,18,23H,7-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488242 (CHEMBL2281964) Show SMILES OC1(CNC(=O)Nc2c(Cl)cccc2Cl)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C28H28BrCl3N2O3/c29-21-6-9-25(37-16-19-4-7-22(30)8-5-19)20(15-21)14-18-10-12-28(36,13-11-18)17-33-27(35)34-26-23(31)2-1-3-24(26)32/h1-9,15,18,36H,10-14,16-17H2,(H2,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488234 (CHEMBL2281960) Show SMILES C\C(=N/NC(N)=N)c1cc(Br)ccc1OCc1ccc(cc1)C#N Show InChI InChI=1S/C17H16BrN5O/c1-11(22-23-17(20)21)15-8-14(18)6-7-16(15)24-10-13-4-2-12(9-19)3-5-13/h2-8H,10H2,1H3,(H4,20,21,23)/b22-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488240 (CHEMBL2281966) Show SMILES Cc1cc(C)c(NC(=O)NCC2(O)CCC(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)c(C)c1 |(48.58,-.19,;48.59,-1.73,;47.25,-2.5,;47.25,-4.03,;45.92,-4.81,;48.57,-4.8,;48.57,-6.34,;47.24,-7.11,;45.91,-6.34,;47.24,-8.65,;48.57,-9.42,;48.57,-10.96,;49.9,-10.18,;49.91,-11.73,;49.91,-13.26,;48.57,-14.03,;48.57,-15.57,;47.24,-16.35,;45.91,-15.59,;44.58,-16.36,;43.25,-15.59,;44.58,-17.9,;45.91,-18.67,;47.25,-17.9,;48.58,-18.67,;48.59,-20.21,;49.92,-20.98,;49.91,-22.51,;51.25,-23.28,;52.58,-22.51,;53.92,-23.27,;52.58,-20.96,;51.24,-20.2,;47.24,-13.28,;47.24,-11.73,;49.92,-4.03,;51.25,-4.8,;49.92,-2.49,)| Show InChI InChI=1S/C31H36BrClN2O3/c1-20-14-21(2)29(22(3)15-20)35-30(36)34-19-31(37)12-10-23(11-13-31)16-25-17-26(32)6-9-28(25)38-18-24-4-7-27(33)8-5-24/h4-9,14-15,17,23,37H,10-13,16,18-19H2,1-3H3,(H2,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197787 ((2E)-2-(1-{5-chloro-2-[(4-chlorobenzyl)oxy]phenyl}...) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205775 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-3...) Show SMILES OC1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 |w:1.0| Show InChI InChI=1S/C19H21BrClNO2/c20-16-5-8-19(24-13-14-3-6-17(21)7-4-14)15(10-16)11-22-9-1-2-18(23)12-22/h3-8,10,18,23H,1-2,9,11-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205755 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4...) Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCC(=O)CC2)cc1 Show InChI InChI=1S/C19H19BrClNO2/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-22-9-7-18(23)8-10-22/h1-6,11H,7-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488231 (CHEMBL2281965) Show SMILES Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C30H33Br2ClN2O3/c1-19-13-25(32)14-20(2)28(19)35-29(36)34-18-30(37)11-9-21(10-12-30)15-23-16-24(31)5-8-27(23)38-17-22-3-6-26(33)7-4-22/h3-8,13-14,16,21,37H,9-12,15,17-18H2,1-2H3,(H2,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197781 ((2E)-2-(1-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}e...) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C16H16BrClN4O/c1-10(21-22-16(19)20)14-8-12(17)4-7-15(14)23-9-11-2-5-13(18)6-3-11/h2-8H,9H2,1H3,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488236 (CHEMBL2281956) Show SMILES CC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 Show InChI InChI=1S/C26H34BrClN2O2/c1-20-8-12-30(13-9-20)19-26(31)10-14-29(15-11-26)17-22-16-23(27)4-7-25(22)32-18-21-2-5-24(28)6-3-21/h2-7,16,20,31H,8-15,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205762 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-fluoropi...) Show SMILES FC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C19H20BrClFNO/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-23-9-7-18(22)8-10-23/h1-6,11,18H,7-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488226 (CHEMBL2281963) Show SMILES OC1(CNC(=O)Nc2c(F)cccc2F)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C28H28BrClF2N2O3/c29-21-6-9-25(37-16-19-4-7-22(30)8-5-19)20(15-21)14-18-10-12-28(36,13-11-18)17-33-27(35)34-26-23(31)2-1-3-24(26)32/h1-9,15,18,36H,10-14,16-17H2,(H2,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205753 (1-(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidi...) Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCC(CC2)N2CCNCC2)cc1 Show InChI InChI=1S/C23H29BrClN3O/c24-20-3-6-23(29-17-18-1-4-21(25)5-2-18)19(15-20)16-27-11-7-22(8-12-27)28-13-9-26-10-14-28/h1-6,15,22,26H,7-14,16-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205763 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)pyrrolidin-...) Show SMILES OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 |w:1.0| Show InChI InChI=1S/C18H19BrClNO2/c19-15-3-6-18(23-12-13-1-4-16(20)5-2-13)14(9-15)10-21-8-7-17(22)11-21/h1-6,9,17,22H,7-8,10-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205774 (CHEMBL394256 | N-(1-(2-(4-chlorobenzyloxy)-5-bromo...) Show SMILES CC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C21H24BrClN2O2/c1-15(26)24-20-8-10-25(11-9-20)13-17-12-18(22)4-7-21(17)27-14-16-2-5-19(23)6-3-16/h2-7,12,20H,8-11,13-14H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205749 (CHEMBL234843 | methyl 1-(2-(4-chlorobenzyloxy)-5-b...) Show SMILES COC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C21H24BrClN2O3/c1-27-21(26)24-19-8-10-25(11-9-19)13-16-12-17(22)4-7-20(16)28-14-15-2-5-18(23)6-3-15/h2-7,12,19H,8-11,13-14H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488233 (CHEMBL2281961) Show SMILES CC\C(=N/NC(N)=N)c1cc(Br)ccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C17H18BrClN4O/c1-2-15(22-23-17(20)21)14-9-12(18)5-8-16(14)24-10-11-3-6-13(19)7-4-11/h3-9H,2,10H2,1H3,(H4,20,21,23)/b22-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205768 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-ethoxypi...) Show SMILES CCOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C21H25BrClNO2/c1-2-25-20-9-11-24(12-10-20)14-17-13-18(22)5-8-21(17)26-15-16-3-6-19(23)7-4-16/h3-8,13,20H,2,9-12,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488235 (CHEMBL2281959) Show SMILES OC1(CNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 |(25.33,-54.76,;24.58,-53.43,;25.9,-52.65,;25.88,-51.11,;27.21,-50.32,;27.19,-48.78,;28.55,-51.08,;29.88,-50.3,;31.21,-51.06,;31.22,-52.6,;32.54,-50.27,;32.52,-48.73,;33.85,-47.95,;31.17,-47.98,;29.85,-48.76,;28.51,-48.01,;23.24,-54.2,;21.91,-53.43,;21.91,-51.9,;20.57,-51.13,;19.24,-51.91,;17.91,-51.15,;16.58,-51.92,;15.25,-51.15,;16.58,-53.46,;17.91,-54.23,;19.25,-53.46,;20.58,-54.23,;20.59,-55.77,;21.92,-56.54,;21.92,-58.07,;23.25,-58.84,;24.58,-58.07,;25.92,-58.83,;24.58,-56.52,;23.24,-55.76,;23.24,-51.12,;24.57,-51.89,)| Show InChI InChI=1S/C28H27BrCl4N2O3/c29-20-3-6-25(38-15-18-1-4-21(30)5-2-18)19(12-20)11-17-7-9-28(37,10-8-17)16-34-27(36)35-26-23(32)13-22(31)14-24(26)33/h1-6,12-14,17,37H,7-11,15-16H2,(H2,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197775 ((2E)-2-{5-bromo-2-[(4-cyanobenzyl)oxy]benzylidene}...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(cc1)C#N |w:5.5| Show InChI InChI=1S/C16H14BrN5O/c17-14-5-6-15(13(7-14)9-21-22-16(19)20)23-10-12-3-1-11(8-18)2-4-12/h1-7,9H,10H2,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197759 ((2E)-2-{5-bromo-2-[(4-methylbenzyl)oxy]benzylidene...) Show SMILES [#6]-c1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:14.14| Show InChI InChI=1S/C16H17BrN4O/c1-11-2-4-12(5-3-11)10-22-15-7-6-14(17)8-13(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205761 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(trifluo...) Show SMILES OC1(CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)C(F)(F)F Show InChI InChI=1S/C20H20BrClF3NO2/c21-16-3-6-18(28-13-14-1-4-17(22)5-2-14)15(11-16)12-26-9-7-19(27,8-10-26)20(23,24)25/h1-6,11,27H,7-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	579	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205758 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(aminome...) Show SMILES NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C20H24BrClN2O2/c21-17-3-6-19(26-13-15-1-4-18(22)5-2-15)16(11-17)12-24-9-7-20(25,14-23)8-10-24/h1-6,11,25H,7-10,12-14,23H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	579	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197794 ((2E)-2-{5-bromo-2-[(4-chlorobenzyl)oxy]benzylidene...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H14BrClN4O/c16-12-3-6-14(11(7-12)8-20-21-15(18)19)22-9-10-1-4-13(17)5-2-10/h1-8H,9H2,(H4,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488232 (CHEMBL2281962) Show SMILES CN(C)c1cc(Br)ccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C15H15BrClNO/c1-18(2)14-9-12(16)5-8-15(14)19-10-11-3-6-13(17)7-4-11/h3-9H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197772 ((2-(4-chlorobenzyloxy)-5-bromophenyl)-N,N-dimethyl...) Show SMILES CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C16H17BrClNO/c1-19(2)10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9H,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197795 ((2E)-2-{2-[(4-chlorobenzyl)oxy]-5-cyanobenzylidene...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(ccc1-[#8]-[#6]-c1ccc(Cl)cc1)C#N |w:5.5| Show InChI InChI=1S/C16H14ClN5O/c17-14-4-1-11(2-5-14)10-23-15-6-3-12(8-18)7-13(15)9-21-22-16(19)20/h1-7,9H,10H2,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197767 ((2E)-2-{5-chloro-2-[(4-chlorobenzyl)oxy]benzyliden...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C15H14Cl2N4O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197765 ((2E)-2-{5-bromo-2-[(4-methoxybenzyl)oxy]benzyliden...) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:15.15| Show InChI InChI=1S/C16H17BrN4O2/c1-22-14-5-2-11(3-6-14)10-23-15-7-4-13(17)8-12(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197763 ((E)-1-(2-(4-chlorobenzyloxy)-5-bromobenzylidene)-2...) Show SMILES Clc1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)cc1 |w:14.14| Show InChI InChI=1S/C17H16BrClN4O/c18-14-3-6-16(24-11-12-1-4-15(19)5-2-12)13(9-14)10-22-23-17-20-7-8-21-17/h1-6,9-10H,7-8,11H2,(H2,20,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197766 ((2E)-2-{5-bromo-2-[(4-fluorobenzyl)oxy]benzylidene...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(F)cc1 |w:5.5| Show InChI InChI=1S/C15H14BrFN4O/c16-12-3-6-14(11(7-12)8-20-21-15(18)19)22-9-10-1-4-13(17)5-2-10/h1-8H,9H2,(H4,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488227 (CHEMBL2281957) Show SMILES NC(=N)N\N=C\c1cc(Br)ccc1OCc1cccc(Cl)c1 Show InChI InChI=1S/C15H14BrClN4O/c16-12-4-5-14(11(7-12)8-20-21-15(18)19)22-9-10-2-1-3-13(17)6-10/h1-8H,9H2,(H4,18,19,21)/b20-8+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	839	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197770 ((2E)-2-{5-bromo-2-[(4-nitrobenzyl)oxy]benzylidene}...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1ccc(cc1)-[#7+](-[#8-])=O |w:5.5| Show InChI InChI=1S/C15H14BrN5O3/c16-12-3-6-14(11(7-12)8-19-20-15(17)18)24-9-10-1-4-13(5-2-10)21(22)23/h1-8H,9H2,(H4,17,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	899	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197788 (4-(2-(4-chlorobenzyloxy)-5-bromobenzyl)morpholine ...) Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 Show InChI InChI=1S/C18H19BrClNO2/c19-16-3-6-18(23-13-14-1-4-17(20)5-2-14)15(11-16)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488237 (CHEMBL2281892) Show SMILES Brc1ccc(COc2ccc(Br)cc2N2CCOCC2)cc1 Show InChI InChI=1S/C17H17Br2NO2/c18-14-3-1-13(2-4-14)12-22-17-6-5-15(19)11-16(17)20-7-9-21-10-8-20/h1-6,11H,7-10,12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205759 (1-[5-bromo-2-(4-chloro-benzyloxy)-benzyl]-4-(4-hyd...) Show SMILES OC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 Show InChI InChI=1S/C25H32BrClN2O3/c26-21-3-6-24(32-17-19-1-4-22(27)5-2-19)20(15-21)16-28-13-9-25(31,10-14-28)18-29-11-7-23(30)8-12-29/h1-6,15,23,30-31H,7-14,16-18H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205773 (CHEMBL233385 | N-(2-(4-chlorobenzyloxy)-5-bromoben...) Show SMILES CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C16H17BrClNO/c1-2-19-10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9,19H,2,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197776 ((2E)-2-{2-[(4-chlorobenzyl)oxy]-5-nitrobenzylidene...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(ccc1-[#8]-[#6]-c1ccc(Cl)cc1)-[#7+](-[#8-])=O |w:5.5| Show InChI InChI=1S/C15H14ClN5O3/c16-12-3-1-10(2-4-12)9-24-14-6-5-13(21(22)23)7-11(14)8-19-20-15(17)18/h1-8H,9H2,(H4,17,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205747 ((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-...) Show SMILES NCC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C20H24BrClN2O/c21-18-3-6-20(25-14-16-1-4-19(22)5-2-16)17(11-18)13-24-9-7-15(12-23)8-10-24/h1-6,11,15H,7-10,12-14,23H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197768 (CHEMBL241251 | methyl 4-{[2-((E)-{[amino(imino)met...) Show SMILES [#6]-[#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:17.17| Show InChI InChI=1S/C17H17BrN4O3/c1-24-16(23)12-4-2-11(3-5-12)10-25-15-7-6-14(18)8-13(15)9-21-22-17(19)20/h2-9H,10H2,1H3,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205752 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)pyrrolidine...) Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCCC2)cc1 Show InChI InChI=1S/C18H19BrClNO/c19-16-5-8-18(15(11-16)12-21-9-1-2-10-21)22-13-14-3-6-17(20)7-4-14/h3-8,11H,1-2,9-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50205770 (CHEMBL232412 | ethyl 1-(2-(4-chlorobenzyloxy)-5-br...) Show SMILES CCOC(=O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C22H25BrClNO3/c1-2-27-22(26)17-9-11-25(12-10-17)14-18-13-19(23)5-8-21(18)28-15-16-3-6-20(24)7-4-16/h3-8,13,17H,2,9-12,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197778 (CHEMBL234634 | N-(2-(4-chlorobenzyloxy)-5-bromoben...) Show SMILES CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C18H21BrClNO/c1-3-21(4-2)12-15-11-16(19)7-10-18(15)22-13-14-5-8-17(20)9-6-14/h5-11H,3-4,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488238 (CHEMBL2281971) Show SMILES CCN(CC)c1cc(Br)ccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C17H19BrClNO/c1-3-20(4-2)16-11-14(18)7-10-17(16)21-12-13-5-8-15(19)9-6-13/h5-11H,3-4,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50488241 (CHEMBL2281958) Show SMILES Cc1ccc(NC(=O)NCC2(O)CCC(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)cc1 |(18.47,-46.37,;17.14,-47.15,;17.16,-48.69,;15.84,-49.48,;14.5,-48.72,;13.17,-49.5,;11.83,-48.74,;11.82,-47.2,;10.51,-49.53,;10.52,-51.07,;9.2,-51.85,;9.96,-53.18,;7.86,-52.62,;6.54,-51.86,;6.53,-50.32,;5.2,-49.56,;3.87,-50.33,;2.53,-49.57,;1.2,-50.34,;-.13,-49.57,;1.2,-51.88,;2.54,-52.65,;3.87,-51.88,;5.21,-52.65,;5.21,-54.19,;6.54,-54.96,;6.54,-56.49,;7.87,-57.26,;9.21,-56.49,;10.54,-57.25,;9.2,-54.94,;7.86,-54.18,;7.86,-49.54,;9.2,-50.31,;14.47,-47.18,;15.79,-46.4,)| Show InChI InChI=1S/C29H32BrClN2O3/c1-20-2-9-26(10-3-20)33-28(34)32-19-29(35)14-12-21(13-15-29)16-23-17-24(30)6-11-27(23)36-18-22-4-7-25(31)8-5-22/h2-11,17,21,35H,12-16,18-19H2,1H3,(H2,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197757 (CHEMBL238949 | methyl 3-{[2-((E)-{[amino(imino)met...) Show SMILES [#6]-[#8]-[#6](=O)-c1cccc(-[#6]-[#8]-c2ccc(Br)cc2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1 |w:18.18| Show InChI InChI=1S/C17H17BrN4O3/c1-24-16(23)12-4-2-3-11(7-12)10-25-15-6-5-14(18)8-13(15)9-21-22-17(19)20/h2-9H,10H2,1H3,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197785 ((2E)-2-{5-bromo-2-[(3-nitrobenzyl)oxy]benzylidene}...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cc(Br)ccc1-[#8]-[#6]-c1cccc(c1)-[#7+](-[#8-])=O |w:5.5| Show InChI InChI=1S/C15H14BrN5O3/c16-12-4-5-14(11(7-12)8-19-20-15(17)18)24-9-10-2-1-3-13(6-10)21(22)23/h1-8H,9H2,(H4,17,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair

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