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PubMed code 10514284

Compile data set for download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081628
PNG
(CHEMBL336635 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-met...)
Show SMILES CCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H29N5O3S/c1-4-16-6-5-11-24-22(16)27(2)19-9-12-28(13-10-19)23(29)21-15-17-14-18(26-32(3,30)31)7-8-20(17)25-21/h5-8,11,14-15,19,25-26H,4,9-10,12-13H2,1-3H3
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n/an/a 61n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081631
PNG
(CHEMBL336807 | N-(2-{4-[Ethyl-(3-ethyl-pyridin-2-y...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC
Show InChI InChI=1S/C24H31N5O3S/c1-4-17-7-6-12-25-23(17)29(5-2)20-10-13-28(14-11-20)24(30)22-16-18-15-19(27-33(3,31)32)8-9-21(18)26-22/h6-9,12,15-16,20,26-27H,4-5,10-11,13-14H2,1-3H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081622
PNG
(CHEMBL132770 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-pro...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC
Show InChI InChI=1S/C25H33N5O3S/c1-4-13-30(24-18(5-2)7-6-12-26-24)21-10-14-29(15-11-21)25(31)23-17-19-16-20(28-34(3,32)33)8-9-22(19)27-23/h6-9,12,16-17,21,27-28H,4-5,10-11,13-15H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081625
PNG
(CHEMBL134106 | N-(2-{4-[Ethyl-(3-methoxymethyl-pyr...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1COC
Show InChI InChI=1S/C24H31N5O4S/c1-4-29(23-17(16-33-2)6-5-11-25-23)20-9-12-28(13-10-20)24(30)22-15-18-14-19(27-34(3,31)32)7-8-21(18)26-22/h5-8,11,14-15,20,26-27H,4,9-10,12-13,16H2,1-3H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081624
PNG
(CHEMBL132491 | N-(2-{4-[(3-Methoxymethyl-pyridin-2...)
Show SMILES COCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H29N5O4S/c1-27(22-16(15-32-2)5-4-10-24-22)19-8-11-28(12-9-19)23(29)21-14-17-13-18(26-33(3,30)31)6-7-20(17)25-21/h4-7,10,13-14,19,25-26H,8-9,11-12,15H2,1-3H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1956
PNG
((Alkylamino)piperidine BHAP Analog 12 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C25H34N6O3S/c1-5-31(24-22(27-17(2)3)7-6-12-26-24)20-10-13-30(14-11-20)25(32)23-16-18-15-19(29-35(4,33)34)8-9-21(18)28-23/h6-9,12,15-17,20,27-29H,5,10-11,13-14H2,1-4H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081631
PNG
(CHEMBL336807 | N-(2-{4-[Ethyl-(3-ethyl-pyridin-2-y...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC
Show InChI InChI=1S/C24H31N5O3S/c1-4-17-7-6-12-25-23(17)29(5-2)20-10-13-28(14-11-20)24(30)22-16-18-15-19(27-33(3,31)32)8-9-21(18)26-22/h6-9,12,15-16,20,26-27H,4-5,10-11,13-14H2,1-3H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081629
PNG
(2-{[1-(5-Methanesulfonylamino-1H-indole-2-carbonyl...)
Show SMILES COC(=O)c1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H27N5O5S/c1-27(21-18(23(30)33-2)5-4-10-24-21)17-8-11-28(12-9-17)22(29)20-14-15-13-16(26-34(3,31)32)6-7-19(15)25-20/h4-7,10,13-14,17,25-26H,8-9,11-12H2,1-3H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1956
PNG
((Alkylamino)piperidine BHAP Analog 12 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C25H34N6O3S/c1-5-31(24-22(27-17(2)3)7-6-12-26-24)20-10-13-30(14-11-20)25(32)23-16-18-15-19(29-35(4,33)34)8-9-21(18)28-23/h6-9,12,15-17,20,27-29H,5,10-11,13-14H2,1-4H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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n/an/a 260n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081630
PNG
(CHEMBL132883 | N-(2-{4-[Ethyl-(3-propyl-pyridin-2-...)
Show SMILES CCCc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H33N5O3S/c1-4-7-18-8-6-13-26-24(18)30(5-2)21-11-14-29(15-12-21)25(31)23-17-19-16-20(28-34(3,32)33)9-10-22(19)27-23/h6,8-10,13,16-17,21,27-28H,4-5,7,11-12,14-15H2,1-3H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081625
PNG
(CHEMBL134106 | N-(2-{4-[Ethyl-(3-methoxymethyl-pyr...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1COC
Show InChI InChI=1S/C24H31N5O4S/c1-4-29(23-17(16-33-2)6-5-11-25-23)20-9-12-28(13-10-20)24(30)22-15-18-14-19(27-34(3,31)32)7-8-21(18)26-22/h5-8,11,14-15,20,26-27H,4,9-10,12-13,16H2,1-3H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1961
PNG
((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3
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n/an/a 360n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081630
PNG
(CHEMBL132883 | N-(2-{4-[Ethyl-(3-propyl-pyridin-2-...)
Show SMILES CCCc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H33N5O3S/c1-4-7-18-8-6-13-26-24(18)30(5-2)21-11-14-29(15-12-21)25(31)23-17-19-16-20(28-34(3,32)33)9-10-22(19)27-23/h6,8-10,13,16-17,21,27-28H,4-5,7,11-12,14-15H2,1-3H3
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n/an/a 370n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1961
PNG
((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1956
PNG
((Alkylamino)piperidine BHAP Analog 12 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C25H34N6O3S/c1-5-31(24-22(27-17(2)3)7-6-12-26-24)20-10-13-30(14-11-20)25(32)23-16-18-15-19(29-35(4,33)34)8-9-21(18)28-23/h6-9,12,15-17,20,27-29H,5,10-11,13-14H2,1-4H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081626
PNG
(CHEMBL336318 | N-(2-{4-[Ethyl-(3-isobutyl-pyridin-...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC(C)C
Show InChI InChI=1S/C26H35N5O3S/c1-5-31(25-19(15-18(2)3)7-6-12-27-25)22-10-13-30(14-11-22)26(32)24-17-20-16-21(29-35(4,33)34)8-9-23(20)28-24/h6-9,12,16-18,22,28-29H,5,10-11,13-15H2,1-4H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081626
PNG
(CHEMBL336318 | N-(2-{4-[Ethyl-(3-isobutyl-pyridin-...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC(C)C
Show InChI InChI=1S/C26H35N5O3S/c1-5-31(25-19(15-18(2)3)7-6-12-27-25)22-10-13-30(14-11-22)26(32)24-17-20-16-21(29-35(4,33)34)8-9-23(20)28-24/h6-9,12,16-18,22,28-29H,5,10-11,13-15H2,1-4H3
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Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1961
PNG
((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3
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n/an/a 430n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081631
PNG
(CHEMBL336807 | N-(2-{4-[Ethyl-(3-ethyl-pyridin-2-y...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC
Show InChI InChI=1S/C24H31N5O3S/c1-4-17-7-6-12-25-23(17)29(5-2)20-10-13-28(14-11-20)24(30)22-16-18-15-19(27-33(3,31)32)8-9-21(18)26-22/h6-9,12,15-16,20,26-27H,4-5,10-11,13-14H2,1-3H3
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n/an/a 430n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081630
PNG
(CHEMBL132883 | N-(2-{4-[Ethyl-(3-propyl-pyridin-2-...)
Show SMILES CCCc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H33N5O3S/c1-4-7-18-8-6-13-26-24(18)30(5-2)21-11-14-29(15-12-21)25(31)23-17-19-16-20(28-34(3,32)33)9-10-22(19)27-23/h6,8-10,13,16-17,21,27-28H,4-5,7,11-12,14-15H2,1-3H3
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n/an/a 450n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1947
PNG
((Alkylamino)piperidine BHAP Analog 3 | CHEMBL12433...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-16(2)26-21-6-5-11-25-23(21)29(3)19-9-12-30(13-10-19)24(31)22-15-17-14-18(28-34(4,32)33)7-8-20(17)27-22/h5-8,11,14-16,19,26-28H,9-10,12-13H2,1-4H3
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n/an/a 500n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081623
PNG
(CHEMBL133469 | N-(2-{4-[(3-Isobutyl-pyridin-2-yl)-...)
Show SMILES CC(C)Cc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H33N5O3S/c1-17(2)14-18-6-5-11-26-24(18)29(3)21-9-12-30(13-10-21)25(31)23-16-19-15-20(28-34(4,32)33)7-8-22(19)27-23/h5-8,11,15-17,21,27-28H,9-10,12-14H2,1-4H3
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n/an/a 510n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081622
PNG
(CHEMBL132770 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-pro...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC
Show InChI InChI=1S/C25H33N5O3S/c1-4-13-30(24-18(5-2)7-6-12-26-24)21-10-14-29(15-11-21)25(31)23-17-19-16-20(28-34(3,32)33)8-9-22(19)27-23/h6-9,12,16-17,21,27-28H,4-5,10-11,13-15H2,1-3H3
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n/an/a 540n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081625
PNG
(CHEMBL134106 | N-(2-{4-[Ethyl-(3-methoxymethyl-pyr...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1COC
Show InChI InChI=1S/C24H31N5O4S/c1-4-29(23-17(16-33-2)6-5-11-25-23)20-9-12-28(13-10-20)24(30)22-15-18-14-19(27-34(3,31)32)7-8-21(18)26-22/h5-8,11,14-15,20,26-27H,4,9-10,12-13,16H2,1-3H3
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n/an/a 840n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081626
PNG
(CHEMBL336318 | N-(2-{4-[Ethyl-(3-isobutyl-pyridin-...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC(C)C
Show InChI InChI=1S/C26H35N5O3S/c1-5-31(25-19(15-18(2)3)7-6-12-27-25)22-10-13-30(14-11-22)26(32)24-17-20-16-21(29-35(4,33)34)8-9-23(20)28-24/h6-9,12,16-18,22,28-29H,5,10-11,13-15H2,1-4H3
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n/an/a 880n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081622
PNG
(CHEMBL132770 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-pro...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC
Show InChI InChI=1S/C25H33N5O3S/c1-4-13-30(24-18(5-2)7-6-12-26-24)21-10-14-29(15-11-21)25(31)23-17-19-16-20(28-34(3,32)33)8-9-22(19)27-23/h6-9,12,16-17,21,27-28H,4-5,10-11,13-15H2,1-3H3
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n/an/a 910n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081628
PNG
(CHEMBL336635 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-met...)
Show SMILES CCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H29N5O3S/c1-4-16-6-5-11-24-22(16)27(2)19-9-12-28(13-10-19)23(29)21-15-17-14-18(26-32(3,30)31)7-8-20(17)25-21/h5-8,11,14-15,19,25-26H,4,9-10,12-13H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081623
PNG
(CHEMBL133469 | N-(2-{4-[(3-Isobutyl-pyridin-2-yl)-...)
Show SMILES CC(C)Cc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H33N5O3S/c1-17(2)14-18-6-5-11-26-24(18)29(3)21-9-12-30(13-10-21)25(31)23-16-19-15-20(28-34(4,32)33)7-8-22(19)27-23/h5-8,11,15-17,21,27-28H,9-10,12-14H2,1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1947
PNG
((Alkylamino)piperidine BHAP Analog 3 | CHEMBL12433...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-16(2)26-21-6-5-11-25-23(21)29(3)19-9-12-30(13-10-19)24(31)22-15-17-14-18(28-34(4,32)33)7-8-20(17)27-22/h5-8,11,14-16,19,26-28H,9-10,12-13H2,1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1947
PNG
((Alkylamino)piperidine BHAP Analog 3 | CHEMBL12433...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-16(2)26-21-6-5-11-25-23(21)29(3)19-9-12-30(13-10-19)24(31)22-15-17-14-18(28-34(4,32)33)7-8-20(17)27-22/h5-8,11,14-16,19,26-28H,9-10,12-13H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081628
PNG
(CHEMBL336635 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-met...)
Show SMILES CCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H29N5O3S/c1-4-16-6-5-11-24-22(16)27(2)19-9-12-28(13-10-19)23(29)21-15-17-14-18(26-32(3,30)31)7-8-20(17)25-21/h5-8,11,14-15,19,25-26H,4,9-10,12-13H2,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081623
PNG
(CHEMBL133469 | N-(2-{4-[(3-Isobutyl-pyridin-2-yl)-...)
Show SMILES CC(C)Cc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H33N5O3S/c1-17(2)14-18-6-5-11-26-24(18)29(3)21-9-12-30(13-10-21)25(31)23-16-19-15-20(28-34(4,32)33)7-8-22(19)27-23/h5-8,11,15-17,21,27-28H,9-10,12-14H2,1-4H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081624
PNG
(CHEMBL132491 | N-(2-{4-[(3-Methoxymethyl-pyridin-2...)
Show SMILES COCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H29N5O4S/c1-27(22-16(15-32-2)5-4-10-24-22)19-8-11-28(12-9-19)23(29)21-14-17-13-18(26-33(3,30)31)6-7-20(17)25-21/h4-7,10,13-14,19,25-26H,8-9,11-12,15H2,1-3H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081627
PNG
(CHEMBL442696 | N-(2-{4-[(3-Hydroxymethyl-pyridin-2...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CO
Show InChI InChI=1S/C22H27N5O4S/c1-26(21-15(14-28)4-3-9-23-21)18-7-10-27(11-8-18)22(29)20-13-16-12-17(25-32(2,30)31)5-6-19(16)24-20/h3-6,9,12-13,18,24-25,28H,7-8,10-11,14H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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n/an/a 8.32E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081624
PNG
(CHEMBL132491 | N-(2-{4-[(3-Methoxymethyl-pyridin-2...)
Show SMILES COCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H29N5O4S/c1-27(22-16(15-32-2)5-4-10-24-22)19-8-11-28(12-9-19)23(29)21-14-17-13-18(26-33(3,30)31)6-7-20(17)25-21/h4-7,10,13-14,19,25-26H,8-9,11-12,15H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081629
PNG
(2-{[1-(5-Methanesulfonylamino-1H-indole-2-carbonyl...)
Show SMILES COC(=O)c1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H27N5O5S/c1-27(21-18(23(30)33-2)5-4-10-24-21)17-8-11-28(12-9-17)22(29)20-14-15-13-16(26-34(3,31)32)6-7-19(15)25-20/h4-7,10,13-14,17,25-26H,8-9,11-12H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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n/an/a 1.30E+4n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081627
PNG
(CHEMBL442696 | N-(2-{4-[(3-Hydroxymethyl-pyridin-2...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CO
Show InChI InChI=1S/C22H27N5O4S/c1-26(21-15(14-28)4-3-9-23-21)18-7-10-27(11-8-18)22(29)20-13-16-12-17(25-32(2,30)31)5-6-19(16)24-20/h3-6,9,12-13,18,24-25,28H,7-8,10-11,14H2,1-2H3
PDB
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n/an/a 1.50E+4n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
PDB
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UniProtKB/TrEMBL

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Purchase

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MMDB
PDB
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50081629
PNG
(2-{[1-(5-Methanesulfonylamino-1H-indole-2-carbonyl...)
Show SMILES COC(=O)c1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H27N5O5S/c1-27(21-18(23(30)33-2)5-4-10-24-21)17-8-11-28(12-9-17)22(29)20-14-15-13-16(26-34(3,31)32)6-7-19(15)25-20/h4-7,10,13-14,17,25-26H,8-9,11-12H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
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UniChem

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PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.

J Med Chem 42: 4140-9 (1999)


BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%