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Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'koble' and Initial = 'cs'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50418490
PNG
(CHEMBL1784385)
Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 |r,THB:18:17:11.10.16:13.14|
Show InChI InChI=1S/C33H44N4O/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27+,28+
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n/an/a 0.355n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting


J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50412735
PNG
(CHEMBL454251)
Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1cccc(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14|
Show InChI InChI=1S/C33H43ClN4O/c1-23-35-29-10-5-6-11-30(29)38(23)28-21-26-12-13-27(22-28)37(26)19-16-33(24-8-7-9-25(34)20-24)14-17-36(18-15-33)31(39)32(2,3)4/h5-11,20,26-28H,12-19,21-22H2,1-4H3/t26-,27-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells


J Med Chem 51: 6538-46 (2008)


Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045083
PNG
(CHEMBL3310085)
Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC2CC2)c1=O
Show InChI InChI=1S/C23H23FN4O4/c1-27(2)18(29)12-28-17-10-14(9-13-3-5-15(24)6-4-13)11-25-20(17)21(30)19(23(28)32)22(31)26-16-7-8-16/h3-6,10-11,16,30H,7-9,12H2,1-2H3,(H,26,31)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045085
PNG
(CHEMBL3310087)
Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O
Show InChI InChI=1S/C23H25FN4O5/c1-27(2)18(29)13-28-17-11-15(10-14-4-6-16(24)7-5-14)12-26-20(17)21(30)19(23(28)32)22(31)25-8-9-33-3/h4-7,11-12,30H,8-10,13H2,1-3H3,(H,25,31)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045076
PNG
(CHEMBL3310093)
Show SMILES C[C@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O |r|
Show InChI InChI=1/C23H25FN4O5/c1-13(29)10-26-22(32)19-21(31)20-17(28(23(19)33)12-18(30)27(2)3)9-15(11-25-20)8-14-4-6-16(24)7-5-14/h4-7,9,11,13,29,31H,8,10,12H2,1-3H3,(H,26,32)/t13-/s2
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n/an/a 4.10n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045102
PNG
(CHEMBL3310078)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC2CC2)c1=O
Show InChI InChI=1S/C22H21FN4O4/c1-24-21(30)18-20(29)19-16(27(22(18)31)11-17(28)26-15-6-7-15)9-13(10-25-19)8-12-2-4-14(23)5-3-12/h2-5,9-10,15,29H,6-8,11H2,1H3,(H,24,30)(H,26,28)
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n/an/a 4.40n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045098
PNG
(CHEMBL3309906)
Show SMILES CCN(CC)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O
Show InChI InChI=1S/C23H25FN4O4/c1-4-27(5-2)18(29)13-28-17-11-15(10-14-6-8-16(24)9-7-14)12-26-20(17)21(30)19(23(28)32)22(31)25-3/h6-9,11-12,30H,4-5,10,13H2,1-3H3,(H,25,31)
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n/an/a 4.40n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045067
PNG
(CHEMBL3310413)
Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCCC2)c1=O
Show InChI InChI=1S/C26H29FN4O5/c1-36-12-9-28-25(34)22-24(33)23-20(14-18(15-29-23)13-17-5-7-19(27)8-6-17)31(26(22)35)16-21(32)30-10-3-2-4-11-30/h5-8,14-15,33H,2-4,9-13,16H2,1H3,(H,28,34)
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n/an/a 4.70n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50412739
PNG
(CHEMBL503033)
Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,TLB:9:10:17:13.14|
Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30-/m1/s1
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells


J Med Chem 51: 6538-46 (2008)


Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50418505
PNG
(CHEMBL1784481)
Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C35H39ClN4O/c1-25-37-32-12-5-6-13-33(32)40(25)31-23-29-14-15-30(24-31)39(29)21-18-35(27-9-3-2-4-10-27)16-19-38(20-17-35)34(41)26-8-7-11-28(36)22-26/h2-13,22,29-31H,14-21,23-24H2,1H3
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting


J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50412762
PNG
(CHEMBL444938)
Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)OC(C)(C)C)c1cccc(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14|
Show InChI InChI=1S/C33H43ClN4O2/c1-23-35-29-10-5-6-11-30(29)38(23)28-21-26-12-13-27(22-28)37(26)19-16-33(24-8-7-9-25(34)20-24)14-17-36(18-15-33)31(39)40-32(2,3)4/h5-11,20,26-28H,12-19,21-22H2,1-4H3/t26-,27-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells


J Med Chem 51: 6538-46 (2008)


Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50412738
PNG
(CHEMBL445772)
Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1cccc(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14|
Show InChI InChI=1S/C35H39ClN4O/c1-25-37-32-12-5-6-13-33(32)40(25)31-23-29-14-15-30(24-31)39(29)21-18-35(27-10-7-11-28(36)22-27)16-19-38(20-17-35)34(41)26-8-3-2-4-9-26/h2-13,22,29-31H,14-21,23-24H2,1H3/t29-,30-/m1/s1
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n/an/a 5.25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells


J Med Chem 51: 6538-46 (2008)


Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045082
PNG
(CHEMBL3310084)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NOC)c1=O
Show InChI InChI=1S/C20H19FN4O5/c1-22-19(28)16-18(27)17-14(25(20(16)29)10-15(26)24-30-2)8-12(9-23-17)7-11-3-5-13(21)6-4-11/h3-6,8-9,27H,7,10H2,1-2H3,(H,22,28)(H,24,26)
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n/an/a 5.70n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045084
PNG
(CHEMBL3310086)
Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O
Show InChI InChI=1S/C22H23FN4O5/c1-26(2)17(29)12-27-16-10-14(9-13-3-5-15(23)6-4-13)11-25-19(16)20(30)18(22(27)32)21(31)24-7-8-28/h3-6,10-11,28,30H,7-9,12H2,1-2H3,(H,24,31)
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n/an/a 5.70n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045071
PNG
(CHEMBL3310409)
Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)C)c1=O
Show InChI InChI=1S/C24H27FN4O5/c1-14(2)28-19(30)13-29-18-11-16(10-15-4-6-17(25)7-5-15)12-27-21(18)22(31)20(24(29)33)23(32)26-8-9-34-3/h4-7,11-12,14,31H,8-10,13H2,1-3H3,(H,26,32)(H,28,30)
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n/an/a 6.20n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045088
PNG
(CHEMBL3310090)
Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC(C)(C)CO)c1=O
Show InChI InChI=1S/C24H27FN4O5/c1-24(2,13-30)27-22(33)19-21(32)20-17(29(23(19)34)12-18(31)28(3)4)10-15(11-26-20)9-14-5-7-16(25)8-6-14/h5-8,10-11,30,32H,9,12-13H2,1-4H3,(H,27,33)
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n/an/a 6.5n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045080
PNG
(CHEMBL3310082)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCCOC)c1=O
Show InChI InChI=1S/C22H23FN4O5/c1-24-21(30)18-20(29)19-16(27(22(18)31)12-17(28)25-7-8-32-2)10-14(11-26-19)9-13-3-5-15(23)6-4-13/h3-6,10-11,29H,7-9,12H2,1-2H3,(H,24,30)(H,25,28)
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n/an/a 6.80n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045097
PNG
(CHEMBL3310079)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)(C)C)c1=O
Show InChI InChI=1S/C23H25FN4O4/c1-23(2,3)27-17(29)12-28-16-10-14(9-13-5-7-15(24)8-6-13)11-26-19(16)20(30)18(22(28)32)21(31)25-4/h5-8,10-11,30H,9,12H2,1-4H3,(H,25,31)(H,27,29)
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n/an/a 6.90n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045087
PNG
(CHEMBL3310089)
Show SMILES C[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O |r|
Show InChI InChI=1/C23H25FN4O5/c1-13(12-29)26-22(32)19-21(31)20-17(28(23(19)33)11-18(30)27(2)3)9-15(10-25-20)8-14-4-6-16(24)7-5-14/h4-7,9-10,13,29,31H,8,11-12H2,1-3H3,(H,26,32)/t13-/s2
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n/an/a 7.10n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045090
PNG
(CHEMBL3310081)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O
Show InChI InChI=1S/C21H18F4N4O4/c1-26-19(32)16-18(31)17-14(29(20(16)33)9-15(30)28-10-21(23,24)25)7-12(8-27-17)6-11-2-4-13(22)5-3-11/h2-5,7-8,31H,6,9-10H2,1H3,(H,26,32)(H,28,30)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50412737
PNG
(CHEMBL501085)
Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccc(Cl)c(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14|
Show InChI InChI=1S/C33H42Cl2N4O/c1-22-36-29-7-5-6-8-30(29)39(22)26-20-24-10-11-25(21-26)38(24)18-15-33(23-9-12-27(34)28(35)19-23)13-16-37(17-14-33)31(40)32(2,3)4/h5-9,12,19,24-26H,10-11,13-18,20-21H2,1-4H3/t24-,25-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells


J Med Chem 51: 6538-46 (2008)


Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045073
PNG
(CHEMBL3310097)
Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC2CC2)c1=O
Show InChI InChI=1S/C24H25FN4O5/c1-34-9-8-26-23(32)20-22(31)21-18(29(24(20)33)13-19(30)28-17-6-7-17)11-15(12-27-21)10-14-2-4-16(25)5-3-14/h2-5,11-12,17,31H,6-10,13H2,1H3,(H,26,32)(H,28,30)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045066
PNG
(CHEMBL3310414)
Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCOCC2)c1=O
Show InChI InChI=1S/C25H27FN4O6/c1-35-9-6-27-24(33)21-23(32)22-19(13-17(14-28-22)12-16-2-4-18(26)5-3-16)30(25(21)34)15-20(31)29-7-10-36-11-8-29/h2-5,13-14,32H,6-12,15H2,1H3,(H,27,33)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045106
PNG
(CHEMBL3309903)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(N)=O)c1=O
Show InChI InChI=1S/C19H17FN4O4/c1-22-18(27)15-17(26)16-13(24(19(15)28)9-14(21)25)7-11(8-23-16)6-10-2-4-12(20)5-3-10/h2-5,7-8,26H,6,9H2,1H3,(H2,21,25)(H,22,27)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045078
PNG
(CHEMBL3310095)
Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(N)=O)c1=O
Show InChI InChI=1S/C21H21FN4O5/c1-31-7-6-24-20(29)17-19(28)18-15(26(21(17)30)11-16(23)27)9-13(10-25-18)8-12-2-4-14(22)5-3-12/h2-5,9-10,28H,6-8,11H2,1H3,(H2,23,27)(H,24,29)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045101
PNG
(CHEMBL3310077)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)C)c1=O
Show InChI InChI=1S/C22H23FN4O4/c1-12(2)26-17(28)11-27-16-9-14(8-13-4-6-15(23)7-5-13)10-25-19(16)20(29)18(22(27)31)21(30)24-3/h4-7,9-10,12,29H,8,11H2,1-3H3,(H,24,30)(H,26,28)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045089
PNG
(CHEMBL3310080)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC2CC2)c1=O
Show InChI InChI=1S/C23H23FN4O4/c1-25-22(31)19-21(30)20-17(28(23(19)32)12-18(29)26-10-14-2-3-14)9-15(11-27-20)8-13-4-6-16(24)7-5-13/h4-7,9,11,14,30H,2-3,8,10,12H2,1H3,(H,25,31)(H,26,29)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045107
PNG
(CHEMBL1256978 | GSK364735)
Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O
Show InChI InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045104
PNG
(CHEMBL3309268)
Show SMILES CCNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O
Show InChI InChI=1S/C21H21FN4O4/c1-3-24-16(27)11-26-15-9-13(8-12-4-6-14(22)7-5-12)10-25-18(15)19(28)17(21(26)30)20(29)23-2/h4-7,9-10,28H,3,8,11H2,1-2H3,(H,23,29)(H,24,27)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045072
PNG
(CHEMBL3310098)
Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC2CCC2)c1=O
Show InChI InChI=1S/C25H27FN4O5/c1-35-10-9-27-24(33)21-23(32)22-19(30(25(21)34)14-20(31)29-18-3-2-4-18)12-16(13-28-22)11-15-5-7-17(26)8-6-15/h5-8,12-13,18,32H,2-4,9-11,14H2,1H3,(H,27,33)(H,29,31)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045077
PNG
(CHEMBL3310094)
Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCN2CCOCC2)c1=O
Show InChI InChI=1S/C26H30FN5O5/c1-30(2)21(33)16-32-20-14-18(13-17-3-5-19(27)6-4-17)15-29-23(20)24(34)22(26(32)36)25(35)28-7-8-31-9-11-37-12-10-31/h3-6,14-15,34H,7-13,16H2,1-2H3,(H,28,35)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045086
PNG
(CHEMBL3310088)
Show SMILES C[C@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O |r|
Show InChI InChI=1/C23H25FN4O5/c1-13(12-29)26-22(32)19-21(31)20-17(28(23(19)33)11-18(30)27(2)3)9-15(10-25-20)8-14-4-6-16(24)7-5-14/h4-7,9-10,13,29,31H,8,11-12H2,1-3H3,(H,26,32)/t13-/s2
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50418547
PNG
(CHEMBL1784404)
Show SMILES CCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N4O/c1-2-34-37-32-15-9-10-16-33(32)40(34)31-25-29-17-18-30(26-31)39(29)24-21-36(28-13-7-4-8-14-28)19-22-38(23-20-36)35(41)27-11-5-3-6-12-27/h3-16,29-31H,2,17-26H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting


J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045079
PNG
(CHEMBL3310096)
Show SMILES CNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCOC)c1=O
Show InChI InChI=1S/C22H23FN4O5/c1-24-17(28)12-27-16-10-14(9-13-3-5-15(23)6-4-13)11-26-19(16)20(29)18(22(27)31)21(30)25-7-8-32-2/h3-6,10-11,29H,7-9,12H2,1-2H3,(H,24,28)(H,25,30)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045100
PNG
(CHEMBL3310076)
Show SMILES CCCNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O
Show InChI InChI=1S/C22H23FN4O4/c1-3-8-25-17(28)12-27-16-10-14(9-13-4-6-15(23)7-5-13)11-26-19(16)20(29)18(22(27)31)21(30)24-2/h4-7,10-11,29H,3,8-9,12H2,1-2H3,(H,24,30)(H,25,28)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045075
PNG
(CHEMBL3310092)
Show SMILES C[C@@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O |r|
Show InChI InChI=1/C23H25FN4O5/c1-13(29)10-26-22(32)19-21(31)20-17(28(23(19)33)12-18(30)27(2)3)9-15(11-25-20)8-14-4-6-16(24)7-5-14/h4-7,9,11,13,29,31H,8,10,12H2,1-3H3,(H,26,32)/t13-/s2
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045105
PNG
(CHEMBL3309904)
Show SMILES CNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O
Show InChI InChI=1S/C20H19FN4O4/c1-22-15(26)10-25-14-8-12(7-11-3-5-13(21)6-4-11)9-24-17(14)18(27)16(20(25)29)19(28)23-2/h3-6,8-9,27H,7,10H2,1-2H3,(H,22,26)(H,23,28)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045103
PNG
(CHEMBL3309905)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O
Show InChI InChI=1S/C21H21FN4O4/c1-23-20(29)17-19(28)18-15(26(21(17)30)11-16(27)25(2)3)9-13(10-24-18)8-12-4-6-14(22)7-5-12/h4-7,9-10,28H,8,11H2,1-3H3,(H,23,29)
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GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50418499
PNG
(CHEMBL1784400)
Show SMILES Cc1nc2cc(F)ccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H39FN4O/c1-25-37-32-22-28(36)12-15-33(32)40(25)31-23-29-13-14-30(24-31)39(29)21-18-35(27-10-6-3-7-11-27)16-19-38(20-17-35)34(41)26-8-4-2-5-9-26/h2-12,15,22,29-31H,13-14,16-21,23-24H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting


J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045070
PNG
(CHEMBL3310410)
Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O
Show InChI InChI=1S/C23H22F4N4O5/c1-36-7-6-28-21(34)18-20(33)19-16(31(22(18)35)11-17(32)30-12-23(25,26)27)9-14(10-29-19)8-13-2-4-15(24)5-3-13/h2-5,9-10,33H,6-8,11-12H2,1H3,(H,28,34)(H,30,32)
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n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045099
PNG
(CHEMBL3309907)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O
Show InChI InChI=1S/C23H23FN4O4/c1-25-22(31)19-21(30)20-17(28(23(19)32)13-18(29)27-8-2-3-9-27)11-15(12-26-20)10-14-4-6-16(24)7-5-14/h4-7,11-12,30H,2-3,8-10,13H2,1H3,(H,25,31)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50412740
PNG
(CHEMBL507098)
Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14|
Show InChI InChI=1S/C35H38Cl2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-11-14-30(36)31(37)21-26)15-18-39(19-16-35)34(42)25-7-3-2-4-8-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3/t27-,28-/m1/s1
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n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells


J Med Chem 51: 6538-46 (2008)


Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50418541
PNG
(CHEMBL1784479)
Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C35H38Cl2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-7-3-2-4-8-26)15-18-39(19-16-35)34(42)25-11-14-30(36)31(37)21-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3
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n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting


J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50418489
PNG
(CHEMBL1784384)
Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,THB:18:17:11.10.16:13.14|
Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30+,31+
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n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting


J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50418548
PNG
(CHEMBL1784483)
Show SMILES COc1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1
Show InChI InChI=1S/C36H42N4O2/c1-26-37-33-13-6-7-14-34(33)40(26)31-24-29-15-16-30(25-31)39(29)22-19-36(28-10-4-3-5-11-28)17-20-38(21-18-36)35(41)27-9-8-12-32(23-27)42-2/h3-14,23,29-31H,15-22,24-25H2,1-2H3
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n/an/a 17.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting


J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50412741
PNG
(CHEMBL442933)
Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C1CCCC1)c1ccccc1 |r,TLB:9:10:17:13.14|
Show InChI InChI=1S/C34H44N4O/c1-25-35-31-13-7-8-14-32(31)38(25)30-23-28-15-16-29(24-30)37(28)22-19-34(27-11-3-2-4-12-27)17-20-36(21-18-34)33(39)26-9-5-6-10-26/h2-4,7-8,11-14,26,28-30H,5-6,9-10,15-24H2,1H3/t28-,29-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells


J Med Chem 51: 6538-46 (2008)


Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50418500
PNG
(CHEMBL1784401)
Show SMILES Cc1nc2cccnc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H39N5O/c1-25-36-31-13-8-19-35-32(31)39(25)30-23-28-14-15-29(24-30)38(28)22-18-34(27-11-6-3-7-12-27)16-20-37(21-17-34)33(40)26-9-4-2-5-10-26/h2-13,19,28-30H,14-18,20-24H2,1H3
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting


J Med Chem 54: 3756-67 (2011)


Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045081
PNG
(CHEMBL3310083)
Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCCN(C)C)c1=O
Show InChI InChI=1S/C23H26FN5O4/c1-25-22(32)19-21(31)20-17(29(23(19)33)13-18(30)26-8-9-28(2)3)11-15(12-27-20)10-14-4-6-16(24)7-5-14/h4-7,11-12,31H,8-10,13H2,1-3H3,(H,25,32)(H,26,30)
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045074
PNG
(CHEMBL3310091)
Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC2(CO)CCCC2)c1=O
Show InChI InChI=1S/C26H29FN4O5/c1-30(2)20(33)14-31-19-12-17(11-16-5-7-18(27)8-6-16)13-28-22(19)23(34)21(25(31)36)24(35)29-26(15-32)9-3-4-10-26/h5-8,12-13,32,34H,3-4,9-11,14-15H2,1-2H3,(H,29,35)
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50045065
PNG
(CHEMBL3310415)
Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCN(C)CC2)c1=O
Show InChI InChI=1S/C26H30FN5O5/c1-30-8-10-31(11-9-30)21(33)16-32-20-14-18(13-17-3-5-19(27)6-4-17)15-29-23(20)24(34)22(26(32)36)25(35)28-7-12-37-2/h3-6,14-15,34H,7-13,16H2,1-2H3,(H,28,35)
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n/an/a 28n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase by strand-transfer assay


Bioorg Med Chem Lett 24: 3104-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.011
BindingDB Entry DOI: 10.7270/Q2BC415P
More data for this
Ligand-Target Pair
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