BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 631 hits with Last Name = 'ingle' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM10227
PNG
(5-chloro-2-ethyl-7-methyl-13-[(pyridin-4-ylsulfany...)
Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5OS/c1-3-26-18-15(20(27)25-17-12(2)8-16(21)24-19(17)26)9-13(10-23-18)11-28-14-4-6-22-7-5-14/h4-10H,3,11H2,1-2H3,(H,25,27)
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492164
PNG
(CHEMBL2381561)
Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CC[C@@H]2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H25N7O3/c1-26-20-6-5-15(11-27-20)21-23-22(32(25(33)30-21)8-7-18-4-3-9-34-18)19-10-16(12-28-24(19)35-23)17-13-29-31(2)14-17/h5-6,10-14,18H,3-4,7-9H2,1-2H3,(H,26,27)/t18-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492156
PNG
(CHEMBL2397560)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(ccc3oc2c(nc1=O)-c1cnn(C)c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N6O3/c1-4-19-10-18(7-8-33-19)31-23-20-9-15(16-11-26-29(2)13-16)5-6-21(20)34-24(23)22(28-25(31)32)17-12-27-30(3)14-17/h5-6,9,11-14,18-19H,4,7-8,10H2,1-3H3/t18-,19-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492155
PNG
(CHEMBL2397554)
Show SMILES Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H23N7O3/c1-28-12-15(10-25-28)14-8-18-20-21(33-22(18)24-9-14)19(16-11-26-29(2)13-16)27-23(31)30(20)6-5-17-4-3-7-32-17/h8-13,17H,3-7H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
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 using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492176
PNG
(CHEMBL2397567)
Show SMILES CN(C)c1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N7O3/c1-31(2)21-7-6-16(12-27-21)22-24-23(33(26(34)30-22)9-8-19-5-4-10-35-19)20-11-17(13-28-25(20)36-24)18-14-29-32(3)15-18/h6-7,11-15,19H,4-5,8-10H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2058
PNG
(2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5OS/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492175
PNG
(CHEMBL2397583)
Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N7O3/c1-27-21-7-6-16(12-28-21)22-24-23(33(26(34)31-22)9-8-19-5-3-4-10-35-19)20-11-17(13-29-25(20)36-24)18-14-30-32(2)15-18/h6-7,11-15,19H,3-5,8-10H2,1-2H3,(H,27,28)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
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 using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492163
PNG
(CHEMBL2397557)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c(oc3ccc(nc23)-c2cnn(C)c2)c(nc1=O)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N7O3/c1-4-17-9-16(7-8-33-17)31-22-21-19(6-5-18(27-21)14-10-25-29(2)12-14)34-23(22)20(28-24(31)32)15-11-26-30(3)13-15/h5-6,10-13,16-17H,4,7-9H2,1-3H3/t16-,17-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492154
PNG
(CHEMBL2397572)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N7O3/c1-4-19-10-18(7-8-35-19)33-23-20-9-16(17-13-30-32(3)14-17)12-29-25(20)36-24(23)22(31-26(33)34)15-5-6-21(27-2)28-11-15/h5-6,9,11-14,18-19H,4,7-8,10H2,1-3H3,(H,27,28)/t18-,19-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492168
PNG
(CHEMBL2397584)
Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCOCC2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N7O3/c1-27-21-4-3-17(12-28-21)22-24-23(33(26(34)31-22)8-5-16-6-9-35-10-7-16)20-11-18(13-29-25(20)36-24)19-14-30-32(2)15-19/h3-4,11-16H,5-10H2,1-2H3,(H,27,28)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM10235
PNG
(13-{[(2,6-dimethylpyridin-4-yl)sulfanyl]methyl}-2-...)
Show SMILES CCN1c2nccc(C)c2NC(=O)c2cc(CSc3cc(C)nc(C)c3)cnc12
Show InChI InChI=1S/C22H23N5OS/c1-5-27-20-18(22(28)26-19-13(2)6-7-23-21(19)27)10-16(11-24-20)12-29-17-8-14(3)25-15(4)9-17/h6-11H,5,12H2,1-4H3,(H,26,28)
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492153
PNG
(CHEMBL2397563)
Show SMILES Cc1nc2cc(ccc2n1C)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C28H27N7O3/c1-16-31-22-12-17(6-7-23(22)34(16)3)24-26-25(35(28(36)32-24)9-8-20-5-4-10-37-20)21-11-18(13-29-27(21)38-26)19-14-30-33(2)15-19/h6-7,11-15,20H,4-5,8-10H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492174
PNG
(CHEMBL2397586)
Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCC(C)O2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N7O3/c1-15-4-6-19(35-15)8-9-33-23-20-10-17(18-13-30-32(3)14-18)12-29-25(20)36-24(23)22(31-26(33)34)16-5-7-21(27-2)28-11-16/h5,7,10-15,19H,4,6,8-9H2,1-3H3,(H,27,28)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492179
PNG
(CHEMBL2397587)
Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2(C)CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N7O3/c1-26(7-4-10-35-26)8-9-33-22-19-11-17(18-14-30-32(3)15-18)13-29-24(19)36-23(22)21(31-25(33)34)16-5-6-20(27-2)28-12-16/h5-6,11-15H,4,7-10H2,1-3H3,(H,27,28)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
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 using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492169
PNG
(CHEMBL2397582)
Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H25N7O3/c1-26-20-6-5-15(11-27-20)21-23-22(32(25(33)30-21)8-7-18-4-3-9-34-18)19-10-16(12-28-24(19)35-23)17-13-29-31(2)14-17/h5-6,10-14,18H,3-4,7-9H2,1-2H3,(H,26,27)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
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 using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492152
PNG
(CHEMBL2397565)
Show SMILES COc1ccc(cc1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H25N5O4/c1-30-15-18(14-28-30)17-12-21-23-24(35-25(21)27-13-17)22(16-5-7-19(33-2)8-6-16)29-26(32)31(23)10-9-20-4-3-11-34-20/h5-8,12-15,20H,3-4,9-11H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492151
PNG
(CHEMBL2397588)
Show SMILES CCC1(CC(C1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1)OC
Show InChI InChI=1S/C26H27N7O3/c1-5-26(35-4)9-18(10-26)33-22-19-8-16(17-13-30-32(3)14-17)12-29-24(19)36-23(22)21(31-25(33)34)15-6-7-20(27-2)28-11-15/h6-8,11-14,18H,5,9-10H2,1-4H3,(H,27,28)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
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 using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492162
PNG
(CHEMBL2397549)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c(oc3ccc(nc23)-c2cn(C)cn2)c(nc1=O)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N7O3/c1-4-16-9-15(7-8-33-16)31-22-21-19(6-5-17(27-21)18-12-29(2)13-25-18)34-23(22)20(28-24(31)32)14-10-26-30(3)11-14/h5-6,10-13,15-16H,4,7-9H2,1-3H3/t15-,16-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
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 using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492173
PNG
(CHEMBL2397573)
Show SMILES CNc1ccc(nc1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H25N7O3/c1-26-17-5-6-20(27-13-17)21-23-22(32(25(33)30-21)8-7-18-4-3-9-34-18)19-10-15(11-28-24(19)35-23)16-12-29-31(2)14-16/h5-6,10-14,18,26H,3-4,7-9H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492158
PNG
(CHEMBL2397548)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(ncc3oc2c(nc1=O)-c1cnn(C)c1)-c1cn(C)cn1
Show InChI InChI=1S/C24H25N7O3/c1-4-16-7-15(5-6-33-16)31-22-17-8-18(19-12-29(2)13-26-19)25-10-20(17)34-23(22)21(28-24(31)32)14-9-27-30(3)11-14/h8-13,15-16H,4-7H2,1-3H3/t15-,16-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM10232
PNG
(5-chloro-13-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl...)
Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3nc(C)cc(C)n3)cnc12
Show InChI InChI=1S/C21H21ClN6OS/c1-5-28-18-15(20(29)27-17-11(2)6-16(22)26-19(17)28)8-14(9-23-18)10-30-21-24-12(3)7-13(4)25-21/h6-9H,5,10H2,1-4H3,(H,27,29)
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492150
PNG
(CHEMBL2397559)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c(oc3cc(C#N)c(nc23)-c2cnn(C)c2)c(nc1=O)-c1cnn(C)c1
Show InChI InChI=1S/C25H24N8O3/c1-4-18-8-17(5-6-35-18)33-23-22-19(7-14(9-26)20(29-22)15-10-27-31(2)12-15)36-24(23)21(30-25(33)34)16-11-28-32(3)13-16/h7,10-13,17-18H,4-6,8H2,1-3H3/t17-,18-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492149
PNG
(CHEMBL2397569)
Show SMILES CN(C)c1ncc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N8O3/c1-31(2)24-27-11-16(12-28-24)20-22-21(33(25(34)30-20)7-6-18-5-4-8-35-18)19-9-15(10-26-23(19)36-22)17-13-29-32(3)14-17/h9-14,18H,4-8H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM10234
PNG
(13-{[(2,6-dimethylpyridin-4-yl)sulfanyl]methyl}-2-...)
Show SMILES CCN1c2nc(F)cc(C)c2NC(=O)c2cc(CSc3cc(C)nc(C)c3)cnc12
Show InChI InChI=1S/C22H22FN5OS/c1-5-28-20-17(22(29)27-19-12(2)6-18(23)26-21(19)28)9-15(10-24-20)11-30-16-7-13(3)25-14(4)8-16/h6-10H,5,11H2,1-4H3,(H,27,29)
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.90n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492167
PNG
(CHEMBL2397558)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(-c4cnn(C)c4)c(cc3oc2c(nc1=O)-c1cnn(C)c1)C#N
Show InChI InChI=1S/C26H25N7O3/c1-4-19-8-18(5-6-35-19)33-24-21-9-20(16-11-28-31(2)13-16)15(10-27)7-22(21)36-25(24)23(30-26(33)34)17-12-29-32(3)14-17/h7,9,11-14,18-19H,4-6,8H2,1-3H3/t18-,19-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM10230
PNG
(5-chloro-13-{[(2,6-dimethylpyridin-4-yl)sulfanyl]m...)
Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3cc(C)nc(C)c3)cnc12
Show InChI InChI=1S/C22H22ClN5OS/c1-5-28-20-17(22(29)27-19-12(2)6-18(23)26-21(19)28)9-15(10-24-20)11-30-16-7-13(3)25-14(4)8-16/h6-10H,5,11H2,1-4H3,(H,27,29)
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492172
PNG
(CHEMBL2397547)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(cnc3oc2c(nc1=O)-c1cnn(C)c1)-c1cn(C)cn1
Show InChI InChI=1S/C24H25N7O3/c1-4-17-8-16(5-6-33-17)31-21-18-7-14(19-12-29(2)13-26-19)9-25-23(18)34-22(21)20(28-24(31)32)15-10-27-30(3)11-15/h7,9-13,16-17H,4-6,8H2,1-3H3/t16-,17-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492148
PNG
(CHEMBL2397556)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(ncc3oc2c(nc1=O)-c1cnn(C)c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N7O3/c1-4-17-7-16(5-6-33-17)31-22-18-8-19(14-9-26-29(2)12-14)25-11-20(18)34-23(22)21(28-24(31)32)15-10-27-30(3)13-15/h8-13,16-17H,4-7H2,1-3H3/t16-,17-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM10233
PNG
(13-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-5-chloro-...)
Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3nc4ccccc4o3)cnc12
Show InChI InChI=1S/C22H18ClN5O2S/c1-3-28-19-14(21(29)27-18-12(2)8-17(23)26-20(18)28)9-13(10-24-19)11-31-22-25-15-6-4-5-7-16(15)30-22/h4-10H,3,11H2,1-2H3,(H,27,29)
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492161
PNG
(CHEMBL2396665)
Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CC(C)(C)CO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C27H29N7O3/c1-27(2)10-19(36-15-27)7-8-34-23-20-9-17(18-13-31-33(4)14-18)12-30-25(20)37-24(23)22(32-26(34)35)16-5-6-21(28-3)29-11-16/h5-6,9,11-14,19H,7-8,10,15H2,1-4H3,(H,28,29)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492147
PNG
(CHEMBL2397562)
Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(ccc3oc2c(nc1=O)-c1cnn(C)c1)-c1cn(C)cn1
Show InChI InChI=1S/C25H26N6O3/c1-4-18-10-17(7-8-33-18)31-23-19-9-15(20-13-29(2)14-26-20)5-6-21(19)34-24(23)22(28-25(31)32)16-11-27-30(3)12-16/h5-6,9,11-14,17-18H,4,7-8,10H2,1-3H3/t17-,18-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492146
PNG
(CHEMBL2397576)
Show SMILES COc1cc(ccn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H24N6O4/c1-30-14-17(13-28-30)16-10-19-22-23(35-24(19)27-12-16)21(15-5-7-26-20(11-15)33-2)29-25(32)31(22)8-6-18-4-3-9-34-18/h5,7,10-14,18H,3-4,6,8-9H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492145
PNG
(CHEMBL2397570)
Show SMILES CN(C)c1cnc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N8O3/c1-31(2)20-13-26-19(12-27-20)21-23-22(33(25(34)30-21)7-6-17-5-4-8-35-17)18-9-15(10-28-24(18)36-23)16-11-29-32(3)14-16/h9-14,17H,4-8H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492180
PNG
(CHEMBL2397566)
Show SMILES COc1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H24N6O4/c1-30-14-17(13-28-30)16-10-19-22-23(35-24(19)27-12-16)21(15-5-6-20(33-2)26-11-15)29-25(32)31(22)8-7-18-4-3-9-34-18/h5-6,10-14,18H,3-4,7-9H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492178
PNG
(CHEMBL2397551)
Show SMILES Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cscn1
Show InChI InChI=1S/C22H20N6O3S/c1-27-10-14(9-25-27)13-7-16-19-20(31-21(16)23-8-13)18(17-11-32-12-24-17)26-22(29)28(19)5-4-15-3-2-6-30-15/h7-12,15H,2-6H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492171
PNG
(CHEMBL2397575)
Show SMILES Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1ccncc1
Show InChI InChI=1S/C24H22N6O3/c1-29-14-17(13-27-29)16-11-19-21-22(33-23(19)26-12-16)20(15-4-7-25-8-5-15)28-24(31)30(21)9-6-18-3-2-10-32-18/h4-5,7-8,11-14,18H,2-3,6,9-10H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
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 using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171982
PNG
(4-[2-(7-Chloro-5-ethyl-10-methyl-11-oxo-10,11-dihy...)
Show SMILES CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C24H23ClN4O4/c1-4-29-21-17(23(30)28(3)18-6-8-20(25)27-22(18)29)12-15(13-26-21)9-10-33-19-7-5-16(24(31)32)11-14(19)2/h5-8,11-13H,4,9-10H2,1-3H3,(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492166
PNG
(CHEMBL2397568)
Show SMILES CCc1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H26N6O3/c1-3-19-7-6-16(12-27-19)22-24-23(32(26(33)30-22)9-8-20-5-4-10-34-20)21-11-17(13-28-25(21)35-24)18-14-29-31(2)15-18/h6-7,11-15,20H,3-5,8-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM10229
PNG
(5-chloro-2-ethyl-7-methyl-13-{[(3-methylpyridin-4-...)
Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3ccncc3C)cnc12
Show InChI InChI=1S/C21H20ClN5OS/c1-4-27-19-15(21(28)26-18-12(2)7-17(22)25-20(18)27)8-14(10-24-19)11-29-16-5-6-23-9-13(16)3/h5-10H,4,11H2,1-3H3,(H,26,28)
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492160
PNG
(CHEMBL2397555)
Show SMILES CCn1cc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N7O3/c1-3-30-14-17(12-27-30)20-22-21(31(24(32)28-20)7-6-18-5-4-8-33-18)19-9-15(10-25-23(19)34-22)16-11-26-29(2)13-16/h9-14,18H,3-8H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492144
PNG
(CHEMBL2397574)
Show SMILES Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cccnc1
Show InChI InChI=1S/C24H22N6O3/c1-29-14-17(13-27-29)16-10-19-21-22(33-23(19)26-12-16)20(15-4-2-7-25-11-15)28-24(31)30(21)8-6-18-5-3-9-32-18/h2,4,7,10-14,18H,3,5-6,8-9H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
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 using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM10236
PNG
(5-chloro-2-cyclopropyl-13-{[(2,6-dimethylpyridin-4...)
Show SMILES Cc1cc(SCc2cnc3N(C4CC4)c4nc(Cl)cc(C)c4NC(=O)c3c2)cc(C)n1
Show InChI InChI=1S/C23H22ClN5OS/c1-12-6-19(24)27-22-20(12)28-23(30)18-9-15(10-25-21(18)29(22)16-4-5-16)11-31-17-7-13(2)26-14(3)8-17/h6-10,16H,4-5,11H2,1-3H3,(H,28,30)
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/a7.437



Boehringer Ingelheim (Canada) Ltd



Assay Description
IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...


Bioorg Med Chem Lett 14: 739-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.049
BindingDB Entry DOI: 10.7270/Q2C53J2D
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492157
PNG
(CHEMBL2397577)
Show SMILES COc1ccc(nc1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H24N6O4/c1-30-14-16(12-28-30)15-10-19-22-23(35-24(19)27-11-15)21(20-6-5-18(33-2)13-26-20)29-25(32)31(22)8-7-17-4-3-9-34-17/h5-6,10-14,17H,3-4,7-9H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492143
PNG
(CHEMBL2397571)
Show SMILES CC[C@H]1C[C@@H](CCO1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N7O3/c1-4-19-10-18(7-8-35-19)33-23-20-9-16(17-13-30-32(3)14-17)12-29-25(20)36-24(23)22(31-26(33)34)15-5-6-21(27-2)28-11-15/h5-6,9,11-14,18-19H,4,7-8,10H2,1-3H3,(H,27,28)/t18-,19+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50492142
PNG
(CHEMBL2397550)
Show SMILES CNc1cnc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1
Show InChI InChI=1S/C24H24N8O3/c1-25-19-12-26-18(11-27-19)20-22-21(32(24(33)30-20)6-5-16-4-3-7-34-16)17-8-14(9-28-23(17)35-22)15-10-29-31(2)13-15/h8-13,16H,3-7H2,1-2H3,(H,25,27)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 23: 3967-75 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.043
BindingDB Entry DOI: 10.7270/Q26976HF
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171979
PNG
(6-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc4cc(ccc4c3)C(O)=O)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-22(26(32)30(2)23-5-4-11-28-25(23)31)13-17(16-29-24)10-12-35-21-9-8-18-14-20(27(33)34)7-6-19(18)15-21/h4-9,11,13-16H,3,10,12H2,1-2H3,(H,33,34)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171974
PNG
(4-[2-(5-Ethyl-7-methoxy-10-methyl-11-oxo-10,11-dih...)
Show SMILES CCN1c2nc(OC)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12
Show InChI InChI=1S/C25H26N4O5/c1-5-29-22-18(24(30)28(3)19-7-9-21(33-4)27-23(19)29)13-16(14-26-22)10-11-34-20-8-6-17(25(31)32)12-15(20)2/h6-9,12-14H,5,10-11H2,1-4H3,(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171976
PNG
(4-[2-(5-Ethyl-7-fluoro-10-methyl-11-oxo-10,11-dihy...)
Show SMILES CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(F)nc12
Show InChI InChI=1S/C24H23FN4O4/c1-4-29-21-17(23(30)28(3)18-6-8-20(25)27-22(18)29)12-15(13-26-21)9-10-33-19-7-5-16(24(31)32)11-14(19)2/h5-8,11-13H,4,9-10H2,1-3H3,(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171971
PNG
(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12
Show InChI InChI=1S/C24H24N4O4/c1-4-28-21-18(23(29)27(3)19-6-5-10-25-22(19)28)13-16(14-26-21)9-11-32-20-8-7-17(24(30)31)12-15(20)2/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,30,31)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 17n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171973
PNG
(3-Bromo-4-[2-(5-ethyl-10-methyl-11-oxo-10,11-dihyd...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3Br)C(O)=O)cnc12
Show InChI InChI=1S/C23H21BrN4O4/c1-3-28-20-16(22(29)27(2)18-5-4-9-25-21(18)28)11-14(13-26-20)8-10-32-19-7-6-15(23(30)31)12-17(19)24/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,30,31)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 631 total )  |  Next  |  Last  >>
Jump to: