Found 38 hits with Last Name = 'hassan' and Initial = 'mz' 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 |
|---|
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50614417
(CHEMBL4647601)Show SMILES CCC(c1cccc(NS(=O)(=O)c2ccc(cn2)C#N)c1)c1c(O)c2CCCCc2oc1=O | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50614416
(CHEMBL120225)Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)OC(C)(C)C)c2)c(=O)o1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50479982
(Aptivus | CHEBI:63628 | Tipranavir | U-140690 | US...)Show SMILES CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |t:15| Show InChI InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1 | PDB
MMDB
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PDB
UniChem
| PDB
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | 
3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50614415
(CHEMBL5266669)Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(N[C@@H](C)C(=O)OC(C)(C)C)c2)c(=O)o1 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM770
(4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl...)Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1 Show InChI InChI=1S/C24H26O3/c1-3-18(15-17-11-7-5-8-12-17)22-16-21(25)23(24(26)27-22)20(4-2)19-13-9-6-10-14-19/h5-14,16,18,20,25H,3-4,15H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1934
(3-[cyclopropyl(phenyl)methyl]-4-hydroxy-7-methoxy-...)Show InChI InChI=1S/C20H18O4/c1-23-14-9-10-15-16(11-14)24-20(22)18(19(15)21)17(13-7-8-13)12-5-3-2-4-6-12/h2-6,9-11,13,17,21H,7-8H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1932
(3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H-chromen...)Show InChI InChI=1S/C19H16O3/c20-18-14-8-4-5-9-15(14)22-19(21)17(18)16(13-10-11-13)12-6-2-1-3-7-12/h1-9,13,16,20H,10-11H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1930
(4-hydroxy-7-methoxy-3-(1-phenylpropyl)-2H-chromen-...)Show InChI InChI=1S/C19H18O4/c1-3-14(12-7-5-4-6-8-12)17-18(20)15-10-9-13(22-2)11-16(15)23-19(17)21/h4-11,14,20H,3H2,1-2H3 | PDB
MMDB
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| MMDB
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PC sid
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Similars
| | 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50614424
(CHEMBL478728)Show SMILES CCOC(=O)C(C(c1cccc(c1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O)C(C)=O | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50029982
(12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-di...)Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@@H]1C)-c1ccccc1 |c:5| Show InChI InChI=1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14-,21+/m1/s1 | PDB
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| | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50029987
(12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-di...)Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@H](O)[C@@H]1C)-c1ccccc1 |c:5| Show InChI InChI=1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14-,21-/m1/s1 | PDB
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Similars
| | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM2572
(2-(4-{4-hydroxy-2-oxo-3-[(2-phenylethyl)sulfanyl]-...)Show SMILES OC(=O)COc1ccc(cc1)-c1cc(O)c(SCCc2ccccc2)c(=O)o1 Show InChI InChI=1S/C21H18O6S/c22-17-12-18(15-6-8-16(9-7-15)26-13-19(23)24)27-21(25)20(17)28-11-10-14-4-2-1-3-5-14/h1-9,12,22H,10-11,13H2,(H,23,24) | PDB
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Similars
| | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM2509
((+/-)-3-[Cyclopentyl(cyclopentylthio)methyl]-4-hyd...)Show InChI InChI=1S/C22H26O3S/c23-18-14-19(15-8-2-1-3-9-15)25-22(24)20(18)21(16-10-4-5-11-16)26-17-12-6-7-13-17/h1-3,8-9,14,16-17,21,23H,4-7,10-13H2 | PDB
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| | n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM993
(4,7-dihydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chro...)Show InChI InChI=1S/C20H20O5/c1-24-17-9-5-3-7-13(17)6-2-4-8-16-19(22)15-11-10-14(21)12-18(15)25-20(16)23/h3,5,7,9-12,21-22H,2,4,6,8H2,1H3 | PDB
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| PC cid
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Similars
| | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50540102
(CHEMBL4637085)Show SMILES COc1cc(\C=C2/Oc3cc4occc4c(OC)c3C2=O)ccc1OCC(=O)Nc1ccccc1 Show InChI InChI=1S/C27H21NO7/c1-31-21-12-16(8-9-19(21)34-15-24(29)28-17-6-4-3-5-7-17)13-23-26(30)25-22(35-23)14-20-18(10-11-33-20)27(25)32-2/h3-14H,15H2,1-2H3,(H,28,29)/b23-13- | PDB
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Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Khalid University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Eur J Med Chem 166: 417-431 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
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Reactome pathway
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Similars
| Article
PubMed
| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Khalid University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Eur J Med Chem 166: 417-431 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5 |
More data for this
Ligand-Target Pair | |
Tyrosinase
(Homo sapiens (Human)) | BDBM50205807
(CHEMBL3978212)Show InChI InChI=1S/C14H9NO5/c16-9-2-3-10-11(6-9)20-12(14(10)18)5-8-1-4-13(17)15(19)7-8/h1-7,16,19H/b12-5- | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Khalid University
Curated by ChEMBL
| Assay Description
Inhibition of tyrosinase (unknown origin) |
Eur J Med Chem 166: 417-431 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50614418
(CHEMBL5271554)Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccc(C)c(C)c2oc1=O | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50614423
(CHEMBL5284565) | PDB
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UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM973
(4-hydroxy-3-(3-phenoxypropyl)-2H-chromen-2-one | P...)Show InChI InChI=1S/C18H16O4/c19-17-14-9-4-5-11-16(14)22-18(20)15(17)10-6-12-21-13-7-2-1-3-8-13/h1-5,7-9,11,19H,6,10,12H2 | PDB
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UniChem
Similars
| | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM2567
(4-hydroxy-6-phenyl-3-(phenylsulfanyl)-2H-pyran-2-o...)Show InChI InChI=1S/C17H12O3S/c18-14-11-15(12-7-3-1-4-8-12)20-17(19)16(14)21-13-9-5-2-6-10-13/h1-11,18H | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50055713
(3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-naphthyl)m...)Show SMILES Oc1ccc2c(O)c(C(c3ccc4ccccc4c3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C29H18O8/c30-17-7-9-19-21(12-17)36-28(34)24(26(19)32)23(16-6-5-14-3-1-2-4-15(14)11-16)25-27(33)20-10-8-18(31)13-22(20)37-29(25)35/h1-13,23,30-33H | PDB
MMDB
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50614421
(CHEMBL5270593)Show SMILES OC(=O)CCCCC1(CC(O)=C(SCCc2ccccc2)C(=O)O1)c1ccccc1 |t:10| | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50614420
(CHEMBL5279989)Show SMILES CCCC1(CCC)CC(O)=C(C(C2CC2)c2ccccc2)C(=O)O1 |t:9| | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50614422
(CHEMBL5287553)Show SMILES Oc1ccc2c(O)c(C(c3ccc(\C=C/c4ccccc4)cc3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM506
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H | PDB
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PC sid
UniChem
Similars
| | n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50614425
((+)-CORDATOLIDE A | (+)-cordatolide A)Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(C)cc(=O)oc3c2[C@@H](O)[C@@H]1C |c:5| | PDB
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| PC cid
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| | n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50428437
((+)-CALANOLIDE B)Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20| Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50614427
(CHEMBL5286193)Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(C)cc(=O)oc3c2[C@H](O)[C@@H]1C |r,c:5| | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50054452
((10R,11R)-6,6,10,11-Tetramethyl-4-propyl-10,11-dih...)Show SMILES CCCc1cc(=O)oc2c3C(=O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20| Show InChI InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12-/m1/s1 | PDB
MMDB
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B.MOAD
DrugBank
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50002662
((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)Show SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20| Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50614426
(CALANOLIDE C)Show SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20| | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50029981
(12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-di...)Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@H]1C)-c1ccccc1 |c:5| Show InChI InChI=1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14+,21-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50055704
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(phenyl...)Show SMILES Oc1c(C(c2ccccc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C25H16O6/c26-22-15-10-4-6-12-17(15)30-24(28)20(22)19(14-8-2-1-3-9-14)21-23(27)16-11-5-7-13-18(16)31-25(21)29/h1-13,19,26-27H | PDB
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PC cid
PC sid
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| | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
DNA topoisomerase I
(Bos taurus) | BDBM50164888
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+ | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
King Khalid University
Curated by ChEMBL
| Assay Description
Inhibition of calf thymus gland topoisomerase 1 mediated DNA relaxation |
Eur J Med Chem 166: 417-431 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase I
(Bos taurus) | BDBM50410161
(CHEMBL191804)Show InChI InChI=1S/C15H10O2/c16-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10H/b13-10+ | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
King Khalid University
Curated by ChEMBL
| Assay Description
Inhibition of calf thymus gland topoisomerase 1 mediated DNA relaxation |
Eur J Med Chem 166: 417-431 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5 |
More data for this
Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50540103
(4,6,3'',4''-Tetramethoxyaurone | 4,6,3',4'-TETRAME...)Show SMILES COc1cc2O\C(=C/c3ccc(OC)c(OC)c3)C(=O)c2c(OC)c1 Show InChI InChI=1S/C19H18O6/c1-21-12-9-15(24-4)18-16(10-12)25-17(19(18)20)8-11-5-6-13(22-2)14(7-11)23-3/h5-10H,1-4H3/b17-8- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 910 | n/a | n/a | n/a | n/a |
King Khalid University
Curated by ChEMBL
| Assay Description
Inhibition of ABCG2 (unknown origin) |
Eur J Med Chem 166: 417-431 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50614419
(CHEMBL3186626)Show SMILES CC(C)[C@]1(CCc2ccc(N)cc2)CC(O)=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |t:16| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
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