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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'soeta' and Initial = 't'   
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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333307
PNG
(CHEMBL1645291 | N1-(4-chloro-3-fluorophenyl)-N2-(2...)
Show SMILES Fc1cc(NC(=O)C(=O)NCc2ccccc2CN2CCOCC2)ccc1Cl
Show InChI InChI=1S/C20H21ClFN3O3/c21-17-6-5-16(11-18(17)22)24-20(27)19(26)23-12-14-3-1-2-4-15(14)13-25-7-9-28-10-8-25/h1-6,11H,7-10,12-13H2,(H,23,26)(H,24,27)
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n/an/a 2.05E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333257
PNG
(CHEMBL1645242 | N1-(4-chloro-3-fluorophenyl)-N2-(2...)
Show SMILES CC(C)N1CCCCC1CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C18H25ClFN3O2/c1-12(2)23-10-4-3-5-14(23)8-9-21-17(24)18(25)22-13-6-7-15(19)16(20)11-13/h6-7,11-12,14H,3-5,8-10H2,1-2H3,(H,21,24)(H,22,25)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333231
PNG
(CHEMBL1645267 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES OCCN1CCCC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1
Show InChI InChI=1S/C16H21ClFN3O3/c17-13-4-3-12(8-14(13)18)20-16(24)15(23)19-9-11-2-1-5-21(10-11)6-7-22/h3-4,8,11,22H,1-2,5-7,9-10H2,(H,19,23)(H,20,24)
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n/an/a 2.76E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333280
PNG
(CHEMBL1645112 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES CC1(C)CC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC(C)(C)N1
Show InChI InChI=1S/C18H25ClFN3O2/c1-17(2)8-11(9-18(3,4)23-17)10-21-15(24)16(25)22-12-5-6-13(19)14(20)7-12/h5-7,11,23H,8-10H2,1-4H3,(H,21,24)(H,22,25)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333236
PNG
(CHEMBL1645262 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES Fc1cc(NC(=O)C(=O)NCC2CCN(C2)C2CC2)ccc1Cl
Show InChI InChI=1S/C16H19ClFN3O2/c17-13-4-1-11(7-14(13)18)20-16(23)15(22)19-8-10-5-6-21(9-10)12-2-3-12/h1,4,7,10,12H,2-3,5-6,8-9H2,(H,19,22)(H,20,23)
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n/an/a 3.35E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333233
PNG
(CHEMBL1645265 | N1-(4-chloro-3-fluorophenyl)-N2-(5...)
Show SMILES Fc1cc(NC(=O)C(=O)NC2CCNC3(CCC3)C2)ccc1Cl
Show InChI InChI=1S/C16H19ClFN3O2/c17-12-3-2-10(8-13(12)18)20-14(22)15(23)21-11-4-7-19-16(9-11)5-1-6-16/h2-3,8,11,19H,1,4-7,9H2,(H,20,22)(H,21,23)
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n/an/a 3.85E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333243
PNG
(CHEMBL1645256 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES Fc1cc(NC(=O)C(=O)NCC2NCCc3ccccc23)ccc1Cl
Show InChI InChI=1S/C18H17ClFN3O2/c19-14-6-5-12(9-15(14)20)23-18(25)17(24)22-10-16-13-4-2-1-3-11(13)7-8-21-16/h1-6,9,16,21H,7-8,10H2,(H,22,24)(H,23,25)
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n/an/a 5.04E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333235
PNG
(CHEMBL1645263 | N1-(4-chloro-3-fluorophenyl)-N2-(1...)
Show SMILES Fc1cc(NC(=O)C(=O)NC2CCN(C2)C2CCCCC2)ccc1Cl
Show InChI InChI=1S/C18H23ClFN3O2/c19-15-7-6-12(10-16(15)20)21-17(24)18(25)22-13-8-9-23(11-13)14-4-2-1-3-5-14/h6-7,10,13-14H,1-5,8-9,11H2,(H,21,24)(H,22,25)
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n/an/a 5.71E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333261
PNG
(CHEMBL1641635 | N1-(4-chloro-3-fluorophenyl)-N2-(1...)
Show SMILES CCCN1CCCC(C1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H21ClFN3O2/c1-2-7-21-8-3-4-12(10-21)20-16(23)15(22)19-11-5-6-13(17)14(18)9-11/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,19,22)(H,20,23)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333237
PNG
((R)-N1-(1-benzylpyrrolidin-3-yl)-N2-(4-chloro-3-fl...)
Show SMILES Fc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1Cl |r|
Show InChI InChI=1S/C19H19ClFN3O2/c20-16-7-6-14(10-17(16)21)22-18(25)19(26)23-15-8-9-24(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,22,25)(H,23,26)/t15-/m1/s1
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n/an/a 5.85E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333240
PNG
(CHEMBL1645258 | N1-(4-chlorophenyl)-N2-((1-ethylpy...)
Show SMILES CCN1CCCC1CNC(=O)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClN3O2/c1-2-19-9-3-4-13(19)10-17-14(20)15(21)18-12-7-5-11(16)6-8-12/h5-8,13H,2-4,9-10H2,1H3,(H,17,20)(H,18,21)
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n/an/a 5.86E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333311
PNG
(CHEMBL1645287 | N1-(4-chloro-3-fluorophenyl)-N2-(2...)
Show SMILES Fc1cc(NC(=O)C(=O)NCC(N2CCCC2)c2ccc(Cl)cc2)ccc1Cl
Show InChI InChI=1S/C20H20Cl2FN3O2/c21-14-5-3-13(4-6-14)18(26-9-1-2-10-26)12-24-19(27)20(28)25-15-7-8-16(22)17(23)11-15/h3-8,11,18H,1-2,9-10,12H2,(H,24,27)(H,25,28)
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n/an/a 6.14E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333252
PNG
(CHEMBL1645247 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES Cc1n[nH]c(C)c1CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C14H14ClFN4O2/c1-7-10(8(2)20-19-7)6-17-13(21)14(22)18-9-3-4-11(15)12(16)5-9/h3-5H,6H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)
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n/an/a 6.45E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333274
PNG
(CHEMBL1645118 | N1-(4-chloro-3-fluorophenyl)-N2-(1...)
Show SMILES CN1C(C)(C)CC(CC1(C)C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C18H25ClFN3O2/c1-17(2)9-12(10-18(3,4)23(17)5)22-16(25)15(24)21-11-6-7-13(19)14(20)8-11/h6-8,12H,9-10H2,1-5H3,(H,21,24)(H,22,25)
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n/an/a 6.58E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333244
PNG
(CHEMBL1645255 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES Fc1cc(NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)ccc1Cl |r|
Show InChI InChI=1S/C16H19ClFN3O2/c17-12-4-3-11(6-13(12)18)21-15(23)14(22)20-9-16-5-1-2-10(16)7-19-8-16/h3-4,6,10,19H,1-2,5,7-9H2,(H,20,22)(H,21,23)/t10-,16+/m1/s1
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n/an/a 6.83E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333309
PNG
(CHEMBL1645289 | N1-(4-chloro-3-fluorophenyl)-N2-(2...)
Show SMILES CN1CCN(CC1)C(CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1Cl
Show InChI InChI=1S/C21H23Cl2FN4O2/c1-27-8-10-28(11-9-27)19(15-4-2-3-5-16(15)22)13-25-20(29)21(30)26-14-6-7-17(23)18(24)12-14/h2-7,12,19H,8-11,13H2,1H3,(H,25,29)(H,26,30)
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n/an/a 7.36E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333241
PNG
(CHEMBL254781 | N-(4-chlorophenyl)-N'-(2,2,6,6-tetr...)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
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n/an/a 7.37E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333281
PNG
(CHEMBL1645111 | N1-(4-chloro-3-fluorophenyl)-N2-(2...)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C17H23ClFN3O2/c1-16(2)8-11(9-17(3,4)22-16)21-15(24)14(23)20-10-5-6-12(18)13(19)7-10/h5-7,11,22H,8-9H2,1-4H3,(H,20,23)(H,21,24)
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n/an/a 7.48E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333232
PNG
(CHEMBL1645266 | N1-(4-chloro-3-fluorophenyl)-N2-(2...)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C17H23ClFN3O2/c1-11-4-3-5-12(2)22(11)9-8-20-16(23)17(24)21-13-6-7-14(18)15(19)10-13/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,23)(H,21,24)/t11-,12+
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n/an/a 7.55E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333228
PNG
(CHEMBL1645270 | N1-(((4S,5S)-5-(aminomethyl)-2,2-d...)
Show SMILES CC1(C)O[C@@H](CN)[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)O1 |r|
Show InChI InChI=1S/C15H19ClFN3O4/c1-15(2)23-11(6-18)12(24-15)7-19-13(21)14(22)20-8-3-4-9(16)10(17)5-8/h3-5,11-12H,6-7,18H2,1-2H3,(H,19,21)(H,20,22)/t11-,12-/m0/s1
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n/an/a 7.66E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333239
PNG
(CHEMBL1645259 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES CCN1CCCC1CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C15H19ClFN3O2/c1-2-20-7-3-4-11(20)9-18-14(21)15(22)19-10-5-6-12(16)13(17)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,21)(H,19,22)
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n/an/a 8.52E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333227
PNG
(CHEMBL1645271 | N1-(4-chloro-2-fluorophenyl)-N2-(2...)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1F
Show InChI InChI=1S/C17H23ClFN3O2/c1-16(2)8-11(9-17(3,4)22-16)20-14(23)15(24)21-13-6-5-10(18)7-12(13)19/h5-7,11,22H,8-9H2,1-4H3,(H,20,23)(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333229
PNG
(CHEMBL1645269 | N1-((5-tert-butyl-1H-pyrazol-3-yl)...)
Show SMILES CC(C)(C)c1cc(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)[nH]n1
Show InChI InChI=1S/C16H18ClFN4O2/c1-16(2,3)13-7-10(21-22-13)8-19-14(23)15(24)20-9-4-5-11(17)12(18)6-9/h4-7H,8H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333230
PNG
(CHEMBL1645268 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES Fc1cc(NC(=O)C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)ccc1Cl |r|
Show InChI InChI=1S/C18H23ClFN3O2/c19-14-7-6-13(10-15(14)20)22-18(25)17(24)21-11-12-4-3-9-23-8-2-1-5-16(12)23/h6-7,10,12,16H,1-5,8-9,11H2,(H,21,24)(H,22,25)/t12-,16+/m0/s1
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333234
PNG
(CHEMBL1645264 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES Fc1cc(NC(=O)C(=O)NCC2CCN(CCN3CCOCC3)C2)ccc1Cl
Show InChI InChI=1S/C19H26ClFN4O3/c20-16-2-1-15(11-17(16)21)23-19(27)18(26)22-12-14-3-4-25(13-14)6-5-24-7-9-28-10-8-24/h1-2,11,14H,3-10,12-13H2,(H,22,26)(H,23,27)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333238
PNG
((S)-N1-(1-benzylpyrrolidin-3-yl)-N2-(4-chloro-3-fl...)
Show SMILES Fc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1Cl |r|
Show InChI InChI=1S/C19H19ClFN3O2/c20-16-7-6-14(10-17(16)21)22-18(25)19(26)23-15-8-9-24(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,22,25)(H,23,26)/t15-/m0/s1
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333242
PNG
(CHEMBL1645257 | N1-(4-chloro-3-fluorophenyl)-N2-(1...)
Show SMILES CC(NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C18H15ClFN3O4/c1-9(10-2-5-15-14(6-10)23-16(24)8-27-15)21-17(25)18(26)22-11-3-4-12(19)13(20)7-11/h2-7,9H,8H2,1H3,(H,21,25)(H,22,26)(H,23,24)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333245
PNG
(CHEMBL1645254 | N1-(4-chloro-3-fluorophenyl)-N2-(4...)
Show SMILES Cn1ccnc1C(O)(CCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C16H15ClF4N4O3/c1-25-7-6-23-14(25)15(28,16(19,20)21)4-5-22-12(26)13(27)24-9-2-3-10(17)11(18)8-9/h2-3,6-8,28H,4-5H2,1H3,(H,22,26)(H,24,27)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333246
PNG
(CHEMBL1645253 | N1-(4-chloro-3-fluorophenyl)-N2-(1...)
Show SMILES Fc1cc(NC(=O)C(=O)Nc2cccc3[nH]ncc23)ccc1Cl
Show InChI InChI=1S/C15H10ClFN4O2/c16-10-5-4-8(6-11(10)17)19-14(22)15(23)20-12-2-1-3-13-9(12)7-18-21-13/h1-7H,(H,18,21)(H,19,22)(H,20,23)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333247
PNG
(CHEMBL1645252 | N1-(4-chloro-3-fluorophenyl)-N2-(4...)
Show SMILES Fc1cc(NC(=O)C(=O)NC2CCc3[nH]ncc3C2)ccc1Cl
Show InChI InChI=1S/C15H14ClFN4O2/c16-11-3-1-10(6-12(11)17)20-15(23)14(22)19-9-2-4-13-8(5-9)7-18-21-13/h1,3,6-7,9H,2,4-5H2,(H,18,21)(H,19,22)(H,20,23)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333248
PNG
(CHEMBL1645251 | N1-(4-chloro-3-fluorophenyl)-N2-(4...)
Show SMILES Fc1cc(NC(=O)C(=O)Nc2cnn3CCCNc23)ccc1Cl
Show InChI InChI=1S/C14H13ClFN5O2/c15-9-3-2-8(6-10(9)16)19-13(22)14(23)20-11-7-18-21-5-1-4-17-12(11)21/h2-3,6-7,17H,1,4-5H2,(H,19,22)(H,20,23)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333249
PNG
(CHEMBL1645250 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES Fc1cc(NC(=O)C(=O)NCc2[nH]nc3CCCCCc23)ccc1Cl
Show InChI InChI=1S/C17H18ClFN4O2/c18-12-7-6-10(8-13(12)19)21-17(25)16(24)20-9-15-11-4-2-1-3-5-14(11)22-23-15/h6-8H,1-5,9H2,(H,20,24)(H,21,25)(H,22,23)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333250
PNG
(CHEMBL1645249 | N1-(4-chloro-3-fluorophenyl)-N2-(3...)
Show SMILES CCc1n[nH]c(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)c1CC
Show InChI InChI=1S/C15H16ClFN4O2/c1-3-9-12(4-2)20-21-13(9)19-15(23)14(22)18-8-5-6-10(16)11(17)7-8/h5-7H,3-4H2,1-2H3,(H,18,22)(H2,19,20,21,23)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333251
PNG
(CHEMBL1645248 | N1-(4-chloro-3-fluorophenyl)-N2-(1...)
Show SMILES CCn1ncnc1C(C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C14H15ClFN5O2/c1-3-21-12(17-7-18-21)8(2)19-13(22)14(23)20-9-4-5-10(15)11(16)6-9/h4-8H,3H2,1-2H3,(H,19,22)(H,20,23)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333253
PNG
(CHEMBL1645246 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES CN(C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CCN(C)CC1
Show InChI InChI=1S/C17H24ClFN4O2/c1-22(2)17(6-8-23(3)9-7-17)11-20-15(24)16(25)21-12-4-5-13(18)14(19)10-12/h4-5,10H,6-9,11H2,1-3H3,(H,20,24)(H,21,25)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333254
PNG
(CHEMBL1645245 | N1-(4-chloro-3-fluorophenyl)-N2-(2...)
Show SMILES CC(C)(CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)N1CCOCC1
Show InChI InChI=1S/C16H21ClFN3O3/c1-16(2,21-5-7-24-8-6-21)10-19-14(22)15(23)20-11-3-4-12(17)13(18)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,19,22)(H,20,23)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333255
PNG
(CHEMBL1645244 | N1-(4-chloro-3-fluorophenyl)-N2-(2...)
Show SMILES CC1CN(CCNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC(C)O1
Show InChI InChI=1S/C16H21ClFN3O3/c1-10-8-21(9-11(2)24-10)6-5-19-15(22)16(23)20-12-3-4-13(17)14(18)7-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,22)(H,20,23)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333256
PNG
(CHEMBL1645243 | N1-(4-chloro-3-fluorophenyl)-N2-(2...)
Show SMILES CC(CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)N1CCCCC1C
Show InChI InChI=1S/C17H23ClFN3O2/c1-11-5-3-4-8-22(11)12(2)10-20-16(23)17(24)21-13-6-7-14(18)15(19)9-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,20,23)(H,21,24)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333258
PNG
(CHEMBL1645241 | N1-(4-chloro-3-fluorophenyl)-N2-(1...)
Show SMILES CN1CCCC(C1)ONC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C14H17ClFN3O3/c1-19-6-2-3-10(8-19)22-18-14(21)13(20)17-9-4-5-11(15)12(16)7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,20)(H,18,21)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333259
PNG
(CHEMBL1645132 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES CN1CCCC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1
Show InChI InChI=1S/C15H19ClFN3O2/c1-20-6-2-3-10(9-20)8-18-14(21)15(22)19-11-4-5-12(16)13(17)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333260
PNG
(CHEMBL1645131 | N1-(4-chloro-3-fluorophenyl)-N2-(1...)
Show SMILES CN1CCCC(C1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C14H17ClFN3O2/c1-19-6-2-3-10(8-19)18-14(21)13(20)17-9-4-5-11(15)12(16)7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,20)(H,18,21)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333262
PNG
(4-(2-(4-chloro-3-fluorophenylamino)-2-oxoacetamido...)
Show SMILES CC1(C)CC(CC(C)(C)[N+]1(C)[O-])NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 |(20.21,-44.3,;18.73,-44.71,;19.49,-46.04,;17.41,-45.48,;16.08,-44.71,;16.06,-43.17,;17.4,-42.4,;16.62,-41.06,;18.16,-41.06,;18.74,-43.17,;19.49,-41.83,;20.27,-43.17,;14.75,-45.49,;13.41,-44.72,;13.4,-43.18,;12.08,-45.5,;12.09,-47.04,;10.74,-44.73,;9.41,-45.51,;8.08,-44.74,;6.75,-45.52,;6.75,-47.06,;5.41,-47.83,;8.08,-47.83,;8.08,-49.37,;9.42,-47.06,)|
Show InChI InChI=1S/C18H25ClFN3O3/c1-17(2)9-12(10-18(3,4)23(17,5)26)22-16(25)15(24)21-11-6-7-13(19)14(20)8-11/h6-8,12H,9-10H2,1-5H3,(H,21,24)(H,22,25)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333263
PNG
(CHEMBL1645129 | N1-(4-chloro-3-fluorophenyl)-N2-(2...)
Show SMILES CC1(C)CC(CC(C)(C)O1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C17H22ClFN2O3/c1-16(2)8-11(9-17(3,4)24-16)21-15(23)14(22)20-10-5-6-12(18)13(19)7-10/h5-7,11H,8-9H2,1-4H3,(H,20,22)(H,21,23)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333264
PNG
(CHEMBL1645128 | N1-(4-chloro-3-fluorophenyl)-N2-(1...)
Show SMILES CC1(C)C2CCC1(C)C(C2)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 |THB:10:8:1:4.5|
Show InChI InChI=1S/C18H22ClFN2O2/c1-17(2)10-6-7-18(17,3)14(8-10)22-16(24)15(23)21-11-4-5-12(19)13(20)9-11/h4-5,9-10,14H,6-8H2,1-3H3,(H,21,23)(H,22,24)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333265
PNG
(CHEMBL1645127 | N1-(4-chloro-3-fluorophenyl)-N2-(3...)
Show SMILES CC1(C)CC(CC(C)(C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C18H24ClFN2O2/c1-17(2)8-12(9-18(3,4)10-17)22-16(24)15(23)21-11-5-6-13(19)14(20)7-11/h5-7,12H,8-10H2,1-4H3,(H,21,23)(H,22,24)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333266
PNG
(CHEMBL1645126 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES CCN1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C16H21ClFN3O2/c1-2-21-7-5-11(6-8-21)10-19-15(22)16(23)20-12-3-4-13(17)14(18)9-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,22)(H,20,23)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333267
PNG
(CHEMBL1645125 | N1-(4-chloro-3-fluorophenyl)-N2-((...)
Show SMILES CN1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C15H19ClFN3O2/c1-20-6-4-10(5-7-20)9-18-14(21)15(22)19-11-2-3-12(16)13(17)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,18,21)(H,19,22)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333268
PNG
(CHEMBL1645124 | N1-(4-chloro-3-fluorophenyl)-N2-(p...)
Show SMILES Fc1cc(NC(=O)C(=O)NCC2CCNCC2)ccc1Cl
Show InChI InChI=1S/C14H17ClFN3O2/c15-11-2-1-10(7-12(11)16)19-14(21)13(20)18-8-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6,8H2,(H,18,20)(H,19,21)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333269
PNG
(CHEMBL1645123 | N1-(1-benzoylpiperidin-4-yl)-N2-(4...)
Show SMILES Fc1cc(NC(=O)C(=O)NC2CCN(CC2)C(=O)c2ccccc2)ccc1Cl
Show InChI InChI=1S/C20H19ClFN3O3/c21-16-7-6-15(12-17(16)22)24-19(27)18(26)23-14-8-10-25(11-9-14)20(28)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,23,26)(H,24,27)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50333270
PNG
(4-(3-((4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl)me...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C18H23ClFN3O4/c1-18(2,3)27-17(26)23-8-6-11(7-9-23)21-15(24)16(25)22-12-4-5-13(19)14(20)10-12/h4-5,10-11H,6-9H2,1-3H3,(H,21,24)(H,22,25)
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Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs

Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair
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