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Compile Data Set for Download or QSAR

Found 40 hits from Boehringer Ingelheim (Canada) Ltd.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476896
PNG
(CHEMBL232576)
Show SMILES OCCC#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C22H19Cl2N5O2S/c23-17-11-14(3-1-2-10-30)4-8-19(17)25-21(31)13-32-22-26-27-28-29(22)20-9-7-16(12-18(20)24)15-5-6-15/h4,7-9,11-12,15,30H,2,5-6,10,13H2,(H,25,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476895
PNG
(CHEMBL232379)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C#CC(O)=O
Show InChI InChI=1S/C22H19Cl2N5O3S/c1-22(2,3)14-6-8-18(16(24)11-14)29-21(26-27-28-29)33-12-19(30)25-17-7-4-13(10-15(17)23)5-9-20(31)32/h4,6-8,10-11H,12H2,1-3H3,(H,25,30)(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476903
PNG
(CHEMBL230188)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C20H21Cl2N5O3S2/c1-20(2,3)12-5-8-17(15(22)9-12)27-19(24-25-26-27)31-11-18(28)23-16-7-6-13(10-14(16)21)32(4,29)30/h5-10H,11H2,1-4H3,(H,23,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476898
PNG
(CHEMBL232377)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C18H16Cl2N6O3S2/c19-13-8-12(31(21,28)29)4-5-15(13)22-17(27)9-30-18-23-24-25-26(18)16-6-3-11(7-14(16)20)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,27)(H2,21,28,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476897
PNG
(CHEMBL232178)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C(O)=O
Show InChI InChI=1S/C20H19Cl2N5O3S/c1-20(2,3)12-5-7-16(14(22)9-12)27-19(24-25-26-27)31-10-17(28)23-15-6-4-11(18(29)30)8-13(15)21/h4-9H,10H2,1-3H3,(H,23,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476904
PNG
(CHEMBL232575)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C#CCCO
Show InChI InChI=1S/C23H23Cl2N5O2S/c1-23(2,3)16-8-10-20(18(25)13-16)30-22(27-28-29-30)33-14-21(32)26-19-9-7-15(12-17(19)24)6-4-5-11-31/h7-10,12-13,31H,5,11,14H2,1-3H3,(H,26,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476885
PNG
(CHEMBL231030)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C19H20Cl2N6O3S2/c1-19(2,3)11-4-7-16(14(21)8-11)27-18(24-25-26-27)31-10-17(28)23-15-6-5-12(9-13(15)20)32(22,29)30/h4-9H,10H2,1-3H3,(H,23,28)(H2,22,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476894
PNG
(CHEMBL230187)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-19(2,3)12-8-9-16(14(21)10-12)26-18(23-24-25-26)28-11-17(27)22-15-7-5-4-6-13(15)20/h4-10H,11H2,1-3H3,(H,22,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476899
PNG
(CHEMBL232963)
Show SMILES CC(C)(NC(=O)CN)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C25H25Cl2N7O2S/c1-25(2,30-22(35)13-28)10-9-15-3-7-20(18(26)11-15)29-23(36)14-37-24-31-32-33-34(24)21-8-6-17(12-19(21)27)16-4-5-16/h3,6-8,11-12,16H,4-5,13-14,28H2,1-2H3,(H,29,36)(H,30,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476896
PNG
(CHEMBL232576)
Show SMILES OCCC#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C22H19Cl2N5O2S/c23-17-11-14(3-1-2-10-30)4-8-19(17)25-21(31)13-32-22-26-27-28-29(22)20-9-7-16(12-18(20)24)15-5-6-15/h4,7-9,11-12,15,30H,2,5-6,10,13H2,(H,25,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM27606
PNG
(2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]s...)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12
Show InChI InChI=1S/C19H14N6O3S/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 9.5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476893
PNG
(CHEMBL393190)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(cc1)C(C)(C)C(O)=O
Show InChI InChI=1S/C29H29Cl2N5O3S/c1-28(2,3)20-11-13-24(22(31)15-20)36-27(33-34-35-36)40-16-25(37)32-23-12-8-18(14-21(23)30)17-6-9-19(10-7-17)29(4,5)26(38)39/h6-15H,16H2,1-5H3,(H,32,37)(H,38,39)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476909
PNG
(CHEMBL232378)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(CCC(O)=O)cc1Cl
Show InChI InChI=1S/C22H23Cl2N5O3S/c1-22(2,3)14-6-8-18(16(24)11-14)29-21(26-27-28-29)33-12-19(30)25-17-7-4-13(10-15(17)23)5-9-20(31)32/h4,6-8,10-11H,5,9,12H2,1-3H3,(H,25,30)(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476904
PNG
(CHEMBL232575)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C#CCCO
Show InChI InChI=1S/C23H23Cl2N5O2S/c1-23(2,3)16-8-10-20(18(25)13-16)30-22(27-28-29-30)33-14-21(32)26-19-9-7-15(12-17(19)24)6-4-5-11-31/h7-10,12-13,31H,5,11,14H2,1-3H3,(H,26,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476892
PNG
(CHEMBL391298)
Show SMILES OC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C19H15Cl2N5O3S/c20-13-8-12(18(28)29)3-5-15(13)22-17(27)9-30-19-23-24-25-26(19)16-6-4-11(7-14(16)21)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,27)(H,28,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476891
PNG
(CHEMBL233167)
Show SMILES CC(C)(CO)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C24H23Cl2N5O2S/c1-24(2,14-32)10-9-15-3-7-20(18(25)11-15)27-22(33)13-34-23-28-29-30-31(23)21-8-6-17(12-19(21)26)16-4-5-16/h3,6-8,11-12,16,32H,4-5,13-14H2,1-2H3,(H,27,33)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476889
PNG
(CHEMBL232765)
Show SMILES CC(C)(O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C23H21Cl2N5O2S/c1-23(2,32)10-9-14-3-7-19(17(24)11-14)26-21(31)13-33-22-27-28-29-30(22)20-8-6-16(12-18(20)25)15-4-5-15/h3,6-8,11-12,15,32H,4-5,13H2,1-2H3,(H,26,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476905
PNG
(CHEMBL231980)
Show SMILES CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C25H24Cl2N6O4S2/c1-25(2,23(35)30-39(3,36)37)11-10-15-4-8-20(18(26)12-15)28-22(34)14-38-24-29-31-32-33(24)21-9-7-17(13-19(21)27)16-5-6-16/h4,7-9,12-13,16H,5-6,14H2,1-3H3,(H,28,34)(H,30,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476887
PNG
(CHEMBL232764)
Show SMILES OCC#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C21H17Cl2N5O2S/c22-16-10-13(2-1-9-29)3-7-18(16)24-20(30)12-31-21-25-26-27-28(21)19-8-6-15(11-17(19)23)14-4-5-14/h3,6-8,10-11,14,29H,4-5,9,12H2,(H,24,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476906
PNG
(CHEMBL393423)
Show SMILES CC(C)(OCC(O)=O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C25H23Cl2N5O4S/c1-25(2,36-13-23(34)35)10-9-15-3-7-20(18(26)11-15)28-22(33)14-37-24-29-30-31-32(24)21-8-6-17(12-19(21)27)16-4-5-16/h3,6-8,11-12,16H,4-5,13-14H2,1-2H3,(H,28,33)(H,34,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476888
PNG
(CHEMBL231777)
Show SMILES CC(C)(CNCC(O)=O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C26H26Cl2N6O3S/c1-26(2,15-29-13-24(36)37)10-9-16-3-7-21(19(27)11-16)30-23(35)14-38-25-31-32-33-34(25)22-8-6-18(12-20(22)28)17-4-5-17/h3,6-8,11-12,17,29H,4-5,13-15H2,1-2H3,(H,30,35)(H,36,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476902
PNG
(CHEMBL231981)
Show SMILES CC(C)(CC(O)=O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C25H23Cl2N5O3S/c1-25(2,13-23(34)35)10-9-15-3-7-20(18(26)11-15)28-22(33)14-36-24-29-30-31-32(24)21-8-6-17(12-19(21)27)16-4-5-16/h3,6-8,11-12,16H,4-5,13-14H2,1-2H3,(H,28,33)(H,34,35)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 26n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476903
PNG
(CHEMBL230188)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C20H21Cl2N5O3S2/c1-20(2,3)12-5-8-17(15(22)9-12)27-19(24-25-26-27)31-11-18(28)23-16-7-6-13(10-14(16)21)32(4,29)30/h5-10H,11H2,1-4H3,(H,23,28)
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n/an/a 26n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM27607
PNG
(4-[3-chloro-4-(2-{[1-(2-chloro-4-cyclopropylphenyl...)
Show SMILES CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C24H21Cl2N5O3S/c1-24(2,22(33)34)10-9-14-3-7-19(17(25)11-14)27-21(32)13-35-23-28-29-30-31(23)20-8-6-16(12-18(20)26)15-4-5-15/h3,6-8,11-12,15H,4-5,13H2,1-2H3,(H,27,32)(H,33,34)
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n/an/a 28n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476886
PNG
(CHEMBL232962)
Show SMILES CC(C)(NCC(O)=O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C25H24Cl2N6O3S/c1-25(2,28-13-23(35)36)10-9-15-3-7-20(18(26)11-15)29-22(34)14-37-24-30-31-32-33(24)21-8-6-17(12-19(21)27)16-4-5-16/h3,6-8,11-12,16,28H,4-5,13-14H2,1-2H3,(H,29,34)(H,35,36)
PDB
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476901
PNG
(CHEMBL393816)
Show SMILES OC(=O)CC#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C22H17Cl2N5O3S/c23-16-10-13(2-1-3-21(31)32)4-8-18(16)25-20(30)12-33-22-26-27-28-29(22)19-9-7-15(11-17(19)24)14-5-6-14/h4,7-11,14H,3,5-6,12H2,(H,25,30)(H,31,32)
PDB
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n/an/a 32n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476893
PNG
(CHEMBL393190)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(cc1)C(C)(C)C(O)=O
Show InChI InChI=1S/C29H29Cl2N5O3S/c1-28(2,3)20-11-13-24(22(31)15-20)36-27(33-34-35-36)40-16-25(37)32-23-12-8-18(14-21(23)30)17-6-9-19(10-7-17)29(4,5)26(38)39/h6-15H,16H2,1-5H3,(H,32,37)(H,38,39)
PDB
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B.MOAD
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UniChem
PubMed
n/an/a 33n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476885
PNG
(CHEMBL231030)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C19H20Cl2N6O3S2/c1-19(2,3)11-4-7-16(14(21)8-11)27-18(24-25-26-27)31-10-17(28)23-15-6-5-12(9-13(15)20)32(22,29)30/h4-9H,10H2,1-3H3,(H,23,28)(H2,22,29,30)
PDB
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PubMed
n/an/a 36n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476900
PNG
(CHEMBL232961)
Show SMILES CC(C)(N)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C23H22Cl2N6OS/c1-23(2,26)10-9-14-3-7-19(17(24)11-14)27-21(32)13-33-22-28-29-30-31(22)20-8-6-16(12-18(20)25)15-4-5-15/h3,6-8,11-12,15H,4-5,13,26H2,1-2H3,(H,27,32)
PDB
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UniChem
PubMed
n/an/a 38n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476895
PNG
(CHEMBL232379)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C#CC(O)=O
Show InChI InChI=1S/C22H19Cl2N5O3S/c1-22(2,3)14-6-8-18(16(24)11-14)29-21(26-27-28-29)33-12-19(30)25-17-7-4-13(10-15(17)23)5-9-20(31)32/h4,6-8,10-11H,12H2,1-3H3,(H,25,30)(H,31,32)
PDB
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B.MOAD
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UniChem
PubMed
n/an/a 38n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476910
PNG
(CHEMBL393990)
Show SMILES OC(=O)C1(CC1)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C24H19Cl2N5O3S/c25-17-11-14(7-8-24(9-10-24)22(33)34)1-5-19(17)27-21(32)13-35-23-28-29-30-31(23)20-6-4-16(12-18(20)26)15-2-3-15/h1,4-6,11-12,15H,2-3,9-10,13H2,(H,27,32)(H,33,34)
PDB
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n/an/a 43n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476907
PNG
(CHEMBL393191)
Show SMILES Clc1cc(ccc1NC(=O)CSc1nnnn1-c1ccc(cc1Cl)C1CC1)C#C
Show InChI InChI=1S/C20H15Cl2N5OS/c1-2-12-3-7-17(15(21)9-12)23-19(28)11-29-20-24-25-26-27(20)18-8-6-14(10-16(18)22)13-4-5-13/h1,3,6-10,13H,4-5,11H2,(H,23,28)
PDB
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n/an/a 44n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476898
PNG
(CHEMBL232377)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C18H16Cl2N6O3S2/c19-13-8-12(31(21,28)29)4-5-15(13)22-17(27)9-30-18-23-24-25-26(18)16-6-3-11(7-14(16)20)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,27)(H2,21,28,29)
PDB
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B.MOAD
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UniChem
PubMed
n/an/a 45n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476890
PNG
(CHEMBL393422)
Show SMILES OC(=O)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C21H15Cl2N5O3S/c22-15-9-12(2-8-20(30)31)1-6-17(15)24-19(29)11-32-21-25-26-27-28(21)18-7-5-14(10-16(18)23)13-3-4-13/h1,5-7,9-10,13H,3-4,11H2,(H,24,29)(H,30,31)
PDB
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n/an/a 47n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476897
PNG
(CHEMBL232178)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)C(O)=O
Show InChI InChI=1S/C20H19Cl2N5O3S/c1-20(2,3)12-5-7-16(14(22)9-12)27-19(24-25-26-27)31-10-17(28)23-15-6-4-11(18(29)30)8-13(15)21/h4-9H,10H2,1-3H3,(H,23,28)(H,29,30)
PDB
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n/an/a 66n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476908
PNG
(CHEMBL232766)
Show SMILES CC(C)(OCCN1CCCC1)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C29H32Cl2N6O2S/c1-29(2,39-16-15-36-13-3-4-14-36)12-11-20-5-9-25(23(30)17-20)32-27(38)19-40-28-33-34-35-37(28)26-10-8-22(18-24(26)31)21-6-7-21/h5,8-10,17-18,21H,3-4,6-7,13-16,19H2,1-2H3,(H,32,38)
PDB
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B.MOAD
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UniChem
PubMed
n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476894
PNG
(CHEMBL230187)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-19(2,3)12-8-9-16(14(21)10-12)26-18(23-24-25-26)28-11-17(27)22-15-7-5-4-6-13(15)20/h4-10H,11H2,1-3H3,(H,22,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 94n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476909
PNG
(CHEMBL232378)
Show SMILES CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(CCC(O)=O)cc1Cl
Show InChI InChI=1S/C22H23Cl2N5O3S/c1-22(2,3)14-6-8-18(16(24)11-14)29-21(26-27-28-29)33-12-19(30)25-17-7-4-13(10-15(17)23)5-9-20(31)32/h4,6-8,10-11H,5,9,12H2,1-3H3,(H,25,30)(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 150n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM50476892
PNG
(CHEMBL391298)
Show SMILES OC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1
Show InChI InChI=1S/C19H15Cl2N5O3S/c20-13-8-12(18(28)29)3-5-15(13)22-17(27)9-30-19-23-24-25-26(19)16-6-4-11(7-14(16)21)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,27)(H,28,29)
PDB
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UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 151n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair
Reverse Transcriptase


(Human immunodeficiency virus 1)
BDBM27606
PNG
(2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]s...)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12
Show InChI InChI=1S/C19H14N6O3S/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26)
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Patents


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PubMed
n/an/a 766n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay


Bioorg Med Chem Lett 17: 4437-41 (2007)

More data for this
Ligand-Target Pair