Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50003992 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478381
(CHEMBL256111)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-5-12(10-25)6-15(7-13)32-20-8-14(1-3-17(20)23)31-11-21(28)27-19-4-2-16(9-18(19)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478381
(CHEMBL256111)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-5-12(10-25)6-15(7-13)32-20-8-14(1-3-17(20)23)31-11-21(28)27-19-4-2-16(9-18(19)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478381
(CHEMBL256111)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-5-12(10-25)6-15(7-13)32-20-8-14(1-3-17(20)23)31-11-21(28)27-19-4-2-16(9-18(19)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478380
(CHEMBL257190)Show SMILES CS(=O)(=O)c1ccc2N(CCc2c1)C(=O)COc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1 Show InChI InChI=1S/C24H18Cl2N2O5S/c1-34(30,31)20-3-5-22-16(10-20)6-7-28(22)24(29)14-32-18-2-4-21(26)23(12-18)33-19-9-15(13-27)8-17(25)11-19/h2-5,8-12H,6-7,14H2,1H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478378
(CHEMBL403409)Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4o3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H11Cl3N2O3/c22-13-6-12(10-25)7-15(8-13)28-19-9-14(4-5-16(19)23)27-11-20-26-18-3-1-2-17(24)21(18)29-20/h1-9H,11H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478380
(CHEMBL257190)Show SMILES CS(=O)(=O)c1ccc2N(CCc2c1)C(=O)COc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1 Show InChI InChI=1S/C24H18Cl2N2O5S/c1-34(30,31)20-3-5-22-16(10-20)6-7-28(22)24(29)14-32-18-2-4-21(26)23(12-18)33-19-9-15(13-27)8-17(25)11-19/h2-5,8-12H,6-7,14H2,1H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478385
(CHEMBL257172)Show SMILES CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C22H15Cl3N2O5S/c1-33(29,30)17-3-5-20(19(25)10-17)27-22(28)12-31-15-2-4-18(24)21(9-15)32-16-7-13(11-26)6-14(23)8-16/h2-10H,12H2,1H3,(H,27,28) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478382
(CHEMBL254560)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cccc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N3O5S/c22-14-7-16(9-17(8-14)31-15-3-1-2-13(6-15)11-24)30-12-21(27)26-20-5-4-18(10-19(20)23)32(25,28)29/h1-10H,12H2,(H,26,27)(H2,25,28,29) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478385
(CHEMBL257172)Show SMILES CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C22H15Cl3N2O5S/c1-33(29,30)17-3-5-20(19(25)10-17)27-22(28)12-31-15-2-4-18(24)21(9-15)32-16-7-13(11-26)6-14(23)8-16/h2-10H,12H2,1H3,(H,27,28) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478383
(CHEMBL402823)Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478382
(CHEMBL254560)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cccc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N3O5S/c22-14-7-16(9-17(8-14)31-15-3-1-2-13(6-15)11-24)30-12-21(27)26-20-5-4-18(10-19(20)23)32(25,28)29/h1-10H,12H2,(H,26,27)(H2,25,28,29) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478385
(CHEMBL257172)Show SMILES CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C22H15Cl3N2O5S/c1-33(29,30)17-3-5-20(19(25)10-17)27-22(28)12-31-15-2-4-18(24)21(9-15)32-16-7-13(11-26)6-14(23)8-16/h2-10H,12H2,1H3,(H,27,28) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478383
(CHEMBL402823)Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478378
(CHEMBL403409)Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4o3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H11Cl3N2O3/c22-13-6-12(10-25)7-15(8-13)28-19-9-14(4-5-16(19)23)27-11-20-26-18-3-1-2-17(24)21(18)29-20/h1-9H,11H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478380
(CHEMBL257190)Show SMILES CS(=O)(=O)c1ccc2N(CCc2c1)C(=O)COc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1 Show InChI InChI=1S/C24H18Cl2N2O5S/c1-34(30,31)20-3-5-22-16(10-20)6-7-28(22)24(29)14-32-18-2-4-21(26)23(12-18)33-19-9-15(13-27)8-17(25)11-19/h2-5,8-12H,6-7,14H2,1H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478387
(CHEMBL255689)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-3-12(10-25)4-16(6-13)32-17-7-14(23)5-15(8-17)31-11-21(28)27-20-2-1-18(9-19(20)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478026
(CHEMBL203420 | GW678248 | GW8248)Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C23H17Cl2N3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478026
(CHEMBL203420 | GW678248 | GW8248)Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C23H17Cl2N3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478383
(CHEMBL402823)Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478387
(CHEMBL255689)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-3-12(10-25)4-16(6-13)32-17-7-14(23)5-15(8-17)31-11-21(28)27-20-2-1-18(9-19(20)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478379
(CHEMBL401809)Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4s3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H11Cl3N2O2S/c22-13-6-12(10-25)7-15(8-13)28-19-9-14(4-5-16(19)23)27-11-20-26-18-3-1-2-17(24)21(18)29-20/h1-9H,11H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478026
(CHEMBL203420 | GW678248 | GW8248)Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C23H17Cl2N3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478388
(CHEMBL255468)Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4[nH]3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H12Cl3N3O2/c22-13-6-12(10-25)7-15(8-13)29-19-9-14(4-5-16(19)23)28-11-20-26-18-3-1-2-17(24)21(18)27-20/h1-9H,11H2,(H,26,27) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478387
(CHEMBL255689)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-3-12(10-25)4-16(6-13)32-17-7-14(23)5-15(8-17)31-11-21(28)27-20-2-1-18(9-19(20)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50183201
(CHEMBL379722 | N-(2-chloro-4-sulfamoyl-phenyl)-2-[...)Show SMILES Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O |(15.06,-12.69,;15.39,-11.18,;14.25,-10.14,;14.59,-8.64,;13.45,-7.6,;16.05,-8.17,;17.19,-9.2,;18.66,-8.73,;16.86,-10.72,;16.38,-6.66,;15.35,-5.51,;16.12,-4.18,;17.63,-4.5,;17.78,-6.04,;19.12,-6.81,;20.45,-6.04,;21.78,-6.81,;21.78,-8.35,;23.12,-6.05,;24.45,-6.82,;24.44,-8.36,;25.77,-9.13,;27.11,-8.36,;27.11,-6.82,;25.78,-6.05,;25.77,-4.51,;28.44,-9.13,;29.77,-9.9,;27.67,-10.47,;29.22,-7.8,)| Show InChI InChI=1S/C18H19ClN6O3S2/c1-10-6-11(2)17(12(3)7-10)25-18(22-23-24-25)29-9-16(26)21-15-5-4-13(8-14(15)19)30(20,27)28/h4-8H,9H2,1-3H3,(H,21,26)(H2,20,27,28) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478379
(CHEMBL401809)Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4s3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H11Cl3N2O2S/c22-13-6-12(10-25)7-15(8-13)28-19-9-14(4-5-16(19)23)27-11-20-26-18-3-1-2-17(24)21(18)29-20/h1-9H,11H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478379
(CHEMBL401809)Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4s3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H11Cl3N2O2S/c22-13-6-12(10-25)7-15(8-13)28-19-9-14(4-5-16(19)23)27-11-20-26-18-3-1-2-17(24)21(18)29-20/h1-9H,11H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478378
(CHEMBL403409)Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4o3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H11Cl3N2O3/c22-13-6-12(10-25)7-15(8-13)28-19-9-14(4-5-16(19)23)27-11-20-26-18-3-1-2-17(24)21(18)29-20/h1-9H,11H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478388
(CHEMBL255468)Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4[nH]3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H12Cl3N3O2/c22-13-6-12(10-25)7-15(8-13)29-19-9-14(4-5-16(19)23)28-11-20-26-18-3-1-2-17(24)21(18)27-20/h1-9H,11H2,(H,26,27) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50183201
(CHEMBL379722 | N-(2-chloro-4-sulfamoyl-phenyl)-2-[...)Show SMILES Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O |(15.06,-12.69,;15.39,-11.18,;14.25,-10.14,;14.59,-8.64,;13.45,-7.6,;16.05,-8.17,;17.19,-9.2,;18.66,-8.73,;16.86,-10.72,;16.38,-6.66,;15.35,-5.51,;16.12,-4.18,;17.63,-4.5,;17.78,-6.04,;19.12,-6.81,;20.45,-6.04,;21.78,-6.81,;21.78,-8.35,;23.12,-6.05,;24.45,-6.82,;24.44,-8.36,;25.77,-9.13,;27.11,-8.36,;27.11,-6.82,;25.78,-6.05,;25.77,-4.51,;28.44,-9.13,;29.77,-9.9,;27.67,-10.47,;29.22,-7.8,)| Show InChI InChI=1S/C18H19ClN6O3S2/c1-10-6-11(2)17(12(3)7-10)25-18(22-23-24-25)29-9-16(26)21-15-5-4-13(8-14(15)19)30(20,27)28/h4-8H,9H2,1-3H3,(H,21,26)(H2,20,27,28) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478386
(CHEMBL254357)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3ccccc3)c2)c(Cl)c1 Show InChI InChI=1S/C20H16Cl2N2O5S/c21-13-8-15(10-16(9-13)29-14-4-2-1-3-5-14)28-12-20(25)24-19-7-6-17(11-18(19)22)30(23,26)27/h1-11H,12H2,(H,24,25)(H2,23,26,27) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478382
(CHEMBL254560)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cccc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N3O5S/c22-14-7-16(9-17(8-14)31-15-3-1-2-13(6-15)11-24)30-12-21(27)26-20-5-4-18(10-19(20)23)32(25,28)29/h1-10H,12H2,(H,26,27)(H2,25,28,29) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478384
(CHEMBL256990)Show SMILES Clc1cc(Oc2cc(OCc3nc4ccccc4s3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H12Cl2N2O2S/c22-14-7-13(11-24)8-16(9-14)27-19-10-15(5-6-17(19)23)26-12-21-25-18-3-1-2-4-20(18)28-21/h1-10H,12H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478386
(CHEMBL254357)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3ccccc3)c2)c(Cl)c1 Show InChI InChI=1S/C20H16Cl2N2O5S/c21-13-8-15(10-16(9-13)29-14-4-2-1-3-5-14)28-12-20(25)24-19-7-6-17(11-18(19)22)30(23,26)27/h1-11H,12H2,(H,24,25)(H2,23,26,27) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50183201
(CHEMBL379722 | N-(2-chloro-4-sulfamoyl-phenyl)-2-[...)Show SMILES Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O |(15.06,-12.69,;15.39,-11.18,;14.25,-10.14,;14.59,-8.64,;13.45,-7.6,;16.05,-8.17,;17.19,-9.2,;18.66,-8.73,;16.86,-10.72,;16.38,-6.66,;15.35,-5.51,;16.12,-4.18,;17.63,-4.5,;17.78,-6.04,;19.12,-6.81,;20.45,-6.04,;21.78,-6.81,;21.78,-8.35,;23.12,-6.05,;24.45,-6.82,;24.44,-8.36,;25.77,-9.13,;27.11,-8.36,;27.11,-6.82,;25.78,-6.05,;25.77,-4.51,;28.44,-9.13,;29.77,-9.9,;27.67,-10.47,;29.22,-7.8,)| Show InChI InChI=1S/C18H19ClN6O3S2/c1-10-6-11(2)17(12(3)7-10)25-18(22-23-24-25)29-9-16(26)21-15-5-4-13(8-14(15)19)30(20,27)28/h4-8H,9H2,1-3H3,(H,21,26)(H2,20,27,28) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478388
(CHEMBL255468)Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4[nH]3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H12Cl3N3O2/c22-13-6-12(10-25)7-15(8-13)29-19-9-14(4-5-16(19)23)28-11-20-26-18-3-1-2-17(24)21(18)27-20/h1-9H,11H2,(H,26,27) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478389
(CHEMBL254997)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)c(Cl)c1 Show InChI InChI=1S/C20H17ClN2O5S/c21-18-12-17(29(22,25)26)9-10-19(18)23-20(24)13-27-15-7-4-8-16(11-15)28-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)(H2,22,25,26) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478384
(CHEMBL256990)Show SMILES Clc1cc(Oc2cc(OCc3nc4ccccc4s3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H12Cl2N2O2S/c22-14-7-13(11-24)8-16(9-14)27-19-10-15(5-6-17(19)23)26-12-21-25-18-3-1-2-4-20(18)28-21/h1-10H,12H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478384
(CHEMBL256990)Show SMILES Clc1cc(Oc2cc(OCc3nc4ccccc4s3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H12Cl2N2O2S/c22-14-7-13(11-24)8-16(9-14)27-19-10-15(5-6-17(19)23)26-12-21-25-18-3-1-2-4-20(18)28-21/h1-10H,12H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478389
(CHEMBL254997)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)c(Cl)c1 Show InChI InChI=1S/C20H17ClN2O5S/c21-18-12-17(29(22,25)26)9-10-19(18)23-20(24)13-27-15-7-4-8-16(11-15)28-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)(H2,22,25,26) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase protein
(Human immunodeficiency virus 1) | BDBM50478386
(CHEMBL254357)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3ccccc3)c2)c(Cl)c1 Show InChI InChI=1S/C20H16Cl2N2O5S/c21-13-8-15(10-16(9-13)29-14-4-2-1-3-5-14)28-12-20(25)24-19-7-6-17(11-18(19)22)30(23,26)27/h1-11H,12H2,(H,24,25)(H2,23,26,27) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 218 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50478389
(CHEMBL254997)Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)c(Cl)c1 Show InChI InChI=1S/C20H17ClN2O5S/c21-18-12-17(29(22,25)26)9-10-19(18)23-20(24)13-27-15-7-4-8-16(11-15)28-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)(H2,22,25,26) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 722 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay |
Bioorg Med Chem Lett 18: 2959-66 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.064
BindingDB Entry DOI: 10.7270/Q2HT2S4M |
More data for this
Ligand-Target Pair | |
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