BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 296 hits with Last Name = 'klumpp' and Initial = 'k'   
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
Gag-Pol polyprotein [588-1027,K691N,Y769C]/[588-1147,K691N,Y769C]


(Human immunodeficiency virus type 1)		BDBM27614
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridazin...)
Show SMILES Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C19H10BrClFN5O/c20-15-2-1-11(7-16-14-3-4-24-26-19(14)27-25-16)17(22)18(15)28-13-6-10(9-23)5-12(21)8-13/h1-6,8H,7H2,(H,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
n/an/a 3n/a 4n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...

J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM27615
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-b]pyrazin-3...)
Show SMILES Fc1c(Cc2n[nH]c3nccnc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C19H10BrClFN5O/c20-14-2-1-11(7-15-17-19(27-26-15)25-4-3-24-17)16(22)18(14)28-13-6-10(9-23)5-12(21)8-13/h1-6,8H,7H2,(H,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/a>25n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...

J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Gag-Pol polyprotein [588-1027]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM27614
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridazin...)
Show SMILES Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C19H10BrClFN5O/c20-15-2-1-11(7-16-14-3-4-24-26-19(14)27-25-16)17(22)18(15)28-13-6-10(9-23)5-12(21)8-13/h1-6,8H,7H2,(H,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
Article
PubMed
n/an/a 3n/a 1n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...

J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Gag-Pol polyprotein [588-1027]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM27613
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridin-3...)
Show SMILES Fc1c(Cc2n[nH]c3cnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C20H11BrClFN4O/c21-16-2-1-12(7-17-15-3-4-25-10-18(15)27-26-17)19(23)20(16)28-14-6-11(9-24)5-13(22)8-14/h1-6,8,10H,7H2,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/a 2n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...

J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482847
PNG
(CHEMBL1258135)
Show SMILES Cc1cnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)nc1Oc1c(C)cc(cc1Cl)C#N
Show InChI InChI=1S/C25H25ClN6O2/c1-15-10-17(13-27)11-21(26)22(15)34-24-16(2)14-29-25(31-24)30-19-6-8-32(9-7-19)20-5-3-4-18(12-20)23(28)33/h3-5,10-12,14,19H,6-9H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482849
PNG
(CHEMBL1258364)
Show SMILES Cc1cc(cc(F)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N
Show InChI InChI=1S/C24H22BrFN6O2/c1-14-9-15(12-27)10-20(26)21(14)34-23-19(25)13-29-24(31-23)30-17-5-7-32(8-6-17)18-4-2-3-16(11-18)22(28)33/h2-4,9-11,13,17H,5-8H2,1H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482849
PNG
(CHEMBL1258364)
Show SMILES Cc1cc(cc(F)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N
Show InChI InChI=1S/C24H22BrFN6O2/c1-14-9-15(12-27)10-20(26)21(14)34-23-19(25)13-29-24(31-23)30-17-5-7-32(8-6-17)18-4-2-3-16(11-18)22(28)33/h2-4,9-11,13,17H,5-8H2,1H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482847
PNG
(CHEMBL1258135)
Show SMILES Cc1cnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)nc1Oc1c(C)cc(cc1Cl)C#N
Show InChI InChI=1S/C25H25ClN6O2/c1-15-10-17(13-27)11-21(26)22(15)34-24-16(2)14-29-25(31-24)30-19-6-8-32(9-7-19)20-5-3-4-18(12-20)23(28)33/h3-5,10-12,14,19H,6-9H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482853
PNG
(CHEMBL1258814)
Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N
Show InChI InChI=1S/C25H26N6O2/c1-16-12-18(15-26)13-17(2)23(16)33-22-6-9-28-25(30-22)29-20-7-10-31(11-8-20)21-5-3-4-19(14-21)24(27)32/h3-6,9,12-14,20H,7-8,10-11H2,1-2H3,(H2,27,32)(H,28,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482845
PNG
(CHEMBL1257905)
Show SMILES Cc1cc(cc(Cl)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N
Show InChI InChI=1S/C24H23ClN6O2/c1-15-11-16(14-26)12-20(25)22(15)33-21-5-8-28-24(30-21)29-18-6-9-31(10-7-18)19-4-2-3-17(13-19)23(27)32/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H2,27,32)(H,28,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482845
PNG
(CHEMBL1257905)
Show SMILES Cc1cc(cc(Cl)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N
Show InChI InChI=1S/C24H23ClN6O2/c1-15-11-16(14-26)12-20(25)22(15)33-21-5-8-28-24(30-21)29-18-6-9-31(10-7-18)19-4-2-3-17(13-19)23(27)32/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H2,27,32)(H,28,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM27611
PNG
(3-[6-bromo-2-fluoro-3-({6-methyl-7-oxo-1H,6H,7H-py...)
Show SMILES Cn1ccc2c(Cc3ccc(Br)c(Oc4cc(Cl)cc(c4)C#N)c3F)[nH]nc2c1=O
Show InChI InChI=1S/C21H13BrClFN4O2/c1-28-5-4-15-17(26-27-19(15)21(28)29)8-12-2-3-16(22)20(18(12)24)30-14-7-11(10-25)6-13(23)9-14/h2-7,9H,8H2,1H3,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/a 4n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...

J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Gag-Pol polyprotein [588-1027]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM27612
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-b]pyridin-3...)
Show SMILES Fc1c(Cc2n[nH]c3ncccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C20H11BrClFN4O/c21-16-4-3-12(8-17-15-2-1-5-25-20(15)27-26-17)18(23)19(16)28-14-7-11(10-24)6-13(22)9-14/h1-7,9H,8H2,(H,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 8n/a 1n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...

J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482842
PNG
(CHEMBL1257316)
Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2ccc(Cl)c(c2)C(N)=O)n1)C#N
Show InChI InChI=1S/C25H25ClN6O2/c1-15-11-17(14-27)12-16(2)23(15)34-22-5-8-29-25(31-22)30-18-6-9-32(10-7-18)19-3-4-21(26)20(13-19)24(28)33/h3-5,8,11-13,18H,6-7,9-10H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N,Y769C]/[588-1147,K691N,Y769C]


(Human immunodeficiency virus type 1)		BDBM27613
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridin-3...)
Show SMILES Fc1c(Cc2n[nH]c3cnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C20H11BrClFN4O/c21-16-2-1-12(7-17-15-3-4-25-10-18(15)27-26-17)19(23)20(16)28-14-6-11(9-24)5-13(22)8-14/h1-6,8,10H,7H2,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/a 18n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...

J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482824
PNG
(CHEMBL1258931)
Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)S(C)(=O)=O)n1)C#N
Show InChI InChI=1S/C25H27N5O3S/c1-17-13-19(16-26)14-18(2)24(17)33-23-7-10-27-25(29-23)28-20-8-11-30(12-9-20)21-5-4-6-22(15-21)34(3,31)32/h4-7,10,13-15,20H,8-9,11-12H2,1-3H3,(H,27,28,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482830
PNG
(CHEMBL1257665)
Show SMILES Cc1cnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)nc1Oc1c(C)cc(cc1C)C#N
Show InChI InChI=1S/C26H28N6O2/c1-16-11-19(14-27)12-17(2)23(16)34-25-18(3)15-29-26(31-25)30-21-7-9-32(10-8-21)22-6-4-5-20(13-22)24(28)33/h4-6,11-13,15,21H,7-10H2,1-3H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50409783
PNG
(CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...)
Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H23ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP

J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus)		BDBM50586563
PNG
(CHEMBL4741463)
Show SMILES C[C@H]1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1ccc(F)c(c1)C#N |r|
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Modulation of capsid assembly in HBV assessed as inhibition of viral DNA replication

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128353
BindingDB Entry DOI: 10.7270/Q25H7M64
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N,Y769C]/[588-1147,K691N,Y769C]


(Human immunodeficiency virus type 1)		BDBM27611
PNG
(3-[6-bromo-2-fluoro-3-({6-methyl-7-oxo-1H,6H,7H-py...)
Show SMILES Cn1ccc2c(Cc3ccc(Br)c(Oc4cc(Cl)cc(c4)C#N)c3F)[nH]nc2c1=O
Show InChI InChI=1S/C21H13BrClFN4O2/c1-28-5-4-15-17(26-27-19(15)21(28)29)8-12-2-3-16(22)20(18(12)24)30-14-7-11(10-25)6-13(23)9-14/h2-7,9H,8H2,1H3,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/a 97n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...

J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482828
PNG
(CHEMBL1257545)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Cl)C#N
Show InChI InChI=1S/C25H25ClN6O2/c1-15-10-17(13-27)11-16(2)22(15)34-24-21(26)14-29-25(31-24)30-19-6-8-32(9-7-19)20-5-3-4-18(12-20)23(28)33/h3-5,10-12,14,19H,6-9H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N,Y769C]/[588-1147,K691N,Y769C]


(Human immunodeficiency virus type 1)		BDBM27615
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-b]pyrazin-3...)
Show SMILES Fc1c(Cc2n[nH]c3nccnc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C19H10BrClFN5O/c20-14-2-1-11(7-15-17-19(27-26-15)25-4-3-24-17)16(22)18(14)28-13-6-10(9-23)5-12(21)8-13/h1-6,8H,7H2,(H,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/a>100n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...

J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482300
PNG
(CHEMBL1170386)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1Br)C#N
Show InChI InChI=1S/C26H28BrN5O3S/c1-17-12-20(14-28)13-18(2)24(17)35-25-23(27)15-29-26(31-25)30-21-8-10-32(11-9-21)16-19-4-6-22(7-5-19)36(3,33)34/h4-7,12-13,15,21H,8-11,16H2,1-3H3,(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 4215-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.040
BindingDB Entry DOI: 10.7270/Q21Z478K
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482829
PNG
(CHEMBL1257664)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1F)C#N
Show InChI InChI=1S/C25H25FN6O2/c1-15-10-17(13-27)11-16(2)22(15)34-24-21(26)14-29-25(31-24)30-19-6-8-32(9-7-19)20-5-3-4-18(12-20)23(28)33/h3-5,10-12,14,19H,6-9H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482829
PNG
(CHEMBL1257664)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1F)C#N
Show InChI InChI=1S/C25H25FN6O2/c1-15-10-17(13-27)11-16(2)22(15)34-24-21(26)14-29-25(31-24)30-19-6-8-32(9-7-19)20-5-3-4-18(12-20)23(28)33/h3-5,10-12,14,19H,6-9H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N,Y769C]/[588-1147,K691N,Y769C]


(Human immunodeficiency virus type 1)		BDBM27609
PNG
(3-{[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluoroph...)
Show SMILES Fc1c(Cc2n[nH]c3c(cccc23)C#N)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C22H11BrClFN4O/c23-18-5-4-13(8-19-17-3-1-2-14(11-27)21(17)29-28-19)20(25)22(18)30-16-7-12(10-26)6-15(24)9-16/h1-7,9H,8H2,(H,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 15n/a 53n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...

J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482822
PNG
(CHEMBL1258588)
Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)S(N)(=O)=O)n1)C#N
Show InChI InChI=1S/C24H26N6O3S/c1-16-12-18(15-25)13-17(2)23(16)33-22-6-9-27-24(29-22)28-19-7-10-30(11-8-19)20-4-3-5-21(14-20)34(26,31)32/h3-6,9,12-14,19H,7-8,10-11H2,1-2H3,(H2,26,31,32)(H,27,28,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482304
PNG
(CHEMBL1170190)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3)CC2)ncc1Br)C#N
Show InChI InChI=1S/C25H26BrN5O/c1-17-12-20(14-27)13-18(2)23(17)32-24-22(26)15-28-25(30-24)29-21-8-10-31(11-9-21)16-19-6-4-3-5-7-19/h3-7,12-13,15,21H,8-11,16H2,1-2H3,(H,28,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 4215-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.040
BindingDB Entry DOI: 10.7270/Q21Z478K
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482830
PNG
(CHEMBL1257665)
Show SMILES Cc1cnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)nc1Oc1c(C)cc(cc1C)C#N
Show InChI InChI=1S/C26H28N6O2/c1-16-11-19(14-27)12-17(2)23(16)34-25-18(3)15-29-26(31-25)30-21-7-9-32(10-8-21)22-6-4-5-20(13-22)24(28)33/h4-6,11-13,15,21H,7-10H2,1-3H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482850
PNG
(CHEMBL1258589)
Show SMILES Cc1cc(cc(Cl)c1Nc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N
Show InChI InChI=1S/C24H23BrClN7O/c1-14-9-15(12-27)10-20(26)21(14)31-23-19(25)13-29-24(32-23)30-17-5-7-33(8-6-17)18-4-2-3-16(11-18)22(28)34/h2-4,9-11,13,17H,5-8H2,1H3,(H2,28,34)(H2,29,30,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482850
PNG
(CHEMBL1258589)
Show SMILES Cc1cc(cc(Cl)c1Nc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N
Show InChI InChI=1S/C24H23BrClN7O/c1-14-9-15(12-27)10-20(26)21(14)31-23-19(25)13-29-24(32-23)30-17-5-7-33(8-6-17)18-4-2-3-16(11-18)22(28)34/h2-4,9-11,13,17H,5-8H2,1H3,(H2,28,34)(H2,29,30,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482841
PNG
(CHEMBL1257315)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(O)=O)ncc1Br)C#N
Show InChI InChI=1S/C25H24BrN5O3/c1-15-10-17(13-27)11-16(2)22(15)34-23-21(26)14-28-25(30-23)29-19-6-8-31(9-7-19)20-5-3-4-18(12-20)24(32)33/h3-5,10-12,14,19H,6-9H2,1-2H3,(H,32,33)(H,28,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482853
PNG
(CHEMBL1258814)
Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N
Show InChI InChI=1S/C25H26N6O2/c1-16-12-18(15-26)13-17(2)23(16)33-22-6-9-28-25(30-22)29-20-7-10-31(11-8-20)21-5-3-4-19(14-21)24(27)32/h3-6,9,12-14,20H,7-8,10-11H2,1-2H3,(H2,27,32)(H,28,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482831
PNG
(CHEMBL1257788)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1N)C#N
Show InChI InChI=1S/C25H27N7O2/c1-15-10-17(13-26)11-16(2)22(15)34-24-21(27)14-29-25(31-24)30-19-6-8-32(9-7-19)20-5-3-4-18(12-20)23(28)33/h3-5,10-12,14,19H,6-9,27H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482834
PNG
(CHEMBL1258136)
Show SMILES COc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N
Show InChI InChI=1S/C25H26N6O3/c1-16-12-17(15-26)13-21(33-2)23(16)34-22-6-9-28-25(30-22)29-19-7-10-31(11-8-19)20-5-3-4-18(14-20)24(27)32/h3-6,9,12-14,19H,7-8,10-11H2,1-2H3,(H2,27,32)(H,28,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482308
PNG
(CHEMBL1169643)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C#N)CC2)ncc1Br)C#N
Show InChI InChI=1S/C26H25BrN6O/c1-17-11-21(14-29)12-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-7-9-33(10-8-22)16-20-5-3-19(13-28)4-6-20/h3-6,11-12,15,22H,7-10,16H2,1-2H3,(H,30,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 4215-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.040
BindingDB Entry DOI: 10.7270/Q21Z478K
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482834
PNG
(CHEMBL1258136)
Show SMILES COc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)C(N)=O)n1)C#N
Show InChI InChI=1S/C25H26N6O3/c1-16-12-17(15-26)13-21(33-2)23(16)34-22-6-9-28-25(30-22)29-19-7-10-31(11-8-19)20-5-3-4-18(14-20)24(27)32/h3-6,9,12-14,19H,7-8,10-11H2,1-2H3,(H2,27,32)(H,28,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482852
PNG
(CHEMBL1258478)
Show SMILES Cc1cc(cc(C)c1Nc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N
Show InChI InChI=1S/C25H26BrN7O/c1-15-10-17(13-27)11-16(2)22(15)31-24-21(26)14-29-25(32-24)30-19-6-8-33(9-7-19)20-5-3-4-18(12-20)23(28)34/h3-5,10-12,14,19H,6-9H2,1-2H3,(H2,28,34)(H2,29,30,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482835
PNG
(CHEMBL1258250)
Show SMILES COc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Cl)C#N
Show InChI InChI=1S/C25H25ClN6O3/c1-15-10-16(13-27)11-21(34-2)22(15)35-24-20(26)14-29-25(31-24)30-18-6-8-32(9-7-18)19-5-3-4-17(12-19)23(28)33/h3-5,10-12,14,18H,6-9H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482831
PNG
(CHEMBL1257788)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1N)C#N
Show InChI InChI=1S/C25H27N7O2/c1-15-10-17(13-26)11-16(2)22(15)34-24-21(27)14-29-25(31-24)30-19-6-8-32(9-7-19)20-5-3-4-18(12-20)23(28)33/h3-5,10-12,14,19H,6-9,27H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482823
PNG
(CHEMBL1258698)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N
Show InChI InChI=1S/C25H25BrN6O2/c1-15-10-17(13-27)11-16(2)22(15)34-24-21(26)14-29-25(31-24)30-19-6-8-32(9-7-19)20-5-3-4-18(12-20)23(28)33/h3-5,10-12,14,19H,6-9H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482821
PNG
(CHEMBL1258587)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)S(N)(=O)=O)ncc1Br)C#N
Show InChI InChI=1S/C24H25BrN6O3S/c1-15-10-17(13-26)11-16(2)22(15)34-23-21(25)14-28-24(30-23)29-18-6-8-31(9-7-18)19-4-3-5-20(12-19)35(27,32)33/h3-5,10-12,14,18H,6-9H2,1-2H3,(H2,27,32,33)(H,28,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482835
PNG
(CHEMBL1258250)
Show SMILES COc1cc(cc(C)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Cl)C#N
Show InChI InChI=1S/C25H25ClN6O3/c1-15-10-16(13-27)11-21(34-2)22(15)35-24-20(26)14-29-25(31-24)30-18-6-8-32(9-7-18)19-5-3-4-17(12-19)23(28)33/h3-5,10-12,14,18H,6-9H2,1-2H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482304
PNG
(CHEMBL1170190)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3)CC2)ncc1Br)C#N
Show InChI InChI=1S/C25H26BrN5O/c1-17-12-20(14-27)13-18(2)23(17)32-24-22(26)15-28-25(30-24)29-21-8-10-31(11-9-21)16-19-6-4-3-5-7-19/h3-7,12-13,15,21H,8-11,16H2,1-2H3,(H,28,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 4215-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.040
BindingDB Entry DOI: 10.7270/Q21Z478K
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482852
PNG
(CHEMBL1258478)
Show SMILES Cc1cc(cc(C)c1Nc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N
Show InChI InChI=1S/C25H26BrN7O/c1-15-10-17(13-27)11-16(2)22(15)31-24-21(26)14-29-25(32-24)30-19-6-8-33(9-7-19)20-5-3-4-18(12-20)23(28)34/h3-5,10-12,14,19H,6-9H2,1-2H3,(H2,28,34)(H2,29,30,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482833
PNG
(CHEMBL1258016)
Show SMILES Cc1cc(cc(Cl)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Cl)C#N
Show InChI InChI=1S/C24H22Cl2N6O2/c1-14-9-15(12-27)10-19(25)21(14)34-23-20(26)13-29-24(31-23)30-17-5-7-32(8-6-17)18-4-2-3-16(11-18)22(28)33/h2-4,9-11,13,17H,5-8H2,1H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482833
PNG
(CHEMBL1258016)
Show SMILES Cc1cc(cc(Cl)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Cl)C#N
Show InChI InChI=1S/C24H22Cl2N6O2/c1-14-9-15(12-27)10-19(25)21(14)34-23-20(26)13-29-24(31-23)30-17-5-7-32(8-6-17)18-4-2-3-16(11-18)22(28)33/h2-4,9-11,13,17H,5-8H2,1H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Roche R&D Center China

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 6020-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.068
BindingDB Entry DOI: 10.7270/Q2T72M88
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482308
PNG
(CHEMBL1169643)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C#N)CC2)ncc1Br)C#N
Show InChI InChI=1S/C26H25BrN6O/c1-17-11-21(14-29)12-18(2)24(17)34-25-23(27)15-30-26(32-25)31-22-7-9-33(10-8-22)16-20-5-3-19(13-28)4-6-20/h3-6,11-12,15,22H,7-10,16H2,1-2H3,(H,30,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 4215-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.040
BindingDB Entry DOI: 10.7270/Q21Z478K
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)		BDBM50482298
PNG
(CHEMBL1171403)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)S(N)(=O)=O)CC2)ncc1Br)C#N
Show InChI InChI=1S/C25H26BrClN6O3S/c1-15-9-17(12-28)10-16(2)23(15)36-24-21(26)13-30-25(32-24)31-19-5-7-33(8-6-19)14-18-3-4-20(11-22(18)27)37(29,34)35/h3-4,9-11,13,19H,5-8,14H2,1-2H3,(H2,29,34,35)(H,30,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay

Bioorg Med Chem Lett 20: 4215-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.040
BindingDB Entry DOI: 10.7270/Q21Z478K
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 296 total )  |  Next  |  Last  >>
Jump to: