Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50041073 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/RNaseH
(Human immunodeficiency virus 1) | BDBM50404264
(CHEMBL108647)Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(C)cc2C)[nH]c1=O Show InChI InChI=1S/C28H28N2O2S/c1-17(2)26-24(15-21-10-7-9-20-8-5-6-11-23(20)21)29-28(30-27(26)32)33-16-25(31)22-13-12-18(3)14-19(22)4/h5-14,17H,15-16H2,1-4H3,(H,29,30,32) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50404254
(CHEMBL108396)Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1 Show InChI InChI=1S/C27H26N2O3S/c1-17(2)25-23(15-20-9-6-8-18-7-4-5-10-22(18)20)28-27(29-26(25)31)33-16-24(30)19-11-13-21(32-3)14-12-19/h4-14,17H,15-16H2,1-3H3,(H,28,29,31) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50404252
(BMY-40900 | DDI | DIDANOSINE)Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50404265
(CHEMBL431868)Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccccc2)[nH]c1=O Show InChI InChI=1S/C26H24N2O2S/c1-17(2)24-22(15-20-13-8-12-18-9-6-7-14-21(18)20)27-26(28-25(24)30)31-16-23(29)19-10-4-3-5-11-19/h3-14,17H,15-16H2,1-2H3,(H,27,28,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50404248
(CHEMBL107180)Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O Show InChI InChI=1S/C25H21FN2O2S/c1-2-20-22(14-18-8-5-7-16-6-3-4-9-21(16)18)27-25(28-24(20)30)31-15-23(29)17-10-12-19(26)13-11-17/h3-13H,2,14-15H2,1H3,(H,27,28,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50404251
(CHEMBL321980)Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(C)=O)[nH]c1=O Show InChI InChI=1S/C21H22N2O2S/c1-13(2)19-18(22-21(23-20(19)25)26-12-14(3)24)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13H,11-12H2,1-3H3,(H,22,23,25) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50404255
(CHEMBL108581)Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O Show InChI InChI=1S/C25H21ClN2O2S/c1-2-20-22(14-18-8-5-7-16-6-3-4-9-21(16)18)27-25(28-24(20)30)31-15-23(29)17-10-12-19(26)13-11-17/h3-13H,2,14-15H2,1H3,(H,27,28,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50404258
(CHEMBL320056)Show SMILES CCOC(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1 Show InChI InChI=1S/C22H24N2O3S/c1-4-27-19(25)13-28-22-23-18(20(14(2)3)21(26)24-22)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3,(H,23,24,26) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50404253
(CHEMBL440706)Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(OC)cc2)[nH]c1=O Show InChI InChI=1S/C26H24N2O3S/c1-3-21-23(15-19-9-6-8-17-7-4-5-10-22(17)19)27-26(28-25(21)30)32-16-24(29)18-11-13-20(31-2)14-12-18/h4-14H,3,15-16H2,1-2H3,(H,27,28,30) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50404249
(CHEMBL107562)Show SMILES COC(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1 Show InChI InChI=1S/C21H22N2O3S/c1-13(2)19-17(22-21(23-20(19)25)27-12-18(24)26-3)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3,(H,22,23,25) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.79E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50404261
(CHEMBL324237)Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O Show InChI InChI=1S/C26H23FN2O2S/c1-16(2)24-22(14-19-8-5-7-17-6-3-4-9-21(17)19)28-26(29-25(24)31)32-15-23(30)18-10-12-20(27)13-11-18/h3-13,16H,14-15H2,1-2H3,(H,28,29,31) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.88E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50004152
((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...)Show InChI InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | >4.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells |
Bioorg Med Chem Lett 14: 3173-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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