BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 412 hits with Last Name = 'andrei' and Initial = 'g'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Adenosylhomocysteinase


(Mus musculus)		BDBM50006222
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:13|
Show InChI InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
 3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity of the compound was tested against L929 cells AdoHcy hydrolase activity

J Med Chem 37: 551-4 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5DQ4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 10n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)		BDBM50034176
PNG
(4-(6-Amino-purin-9-yl)-cyclopentane-1,2,3-triol | ...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(O)C(O)C1O
Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
PubMed
 11.1n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity of the compound was tested against L929 cells AdoHcy hydrolase activity

J Med Chem 37: 551-4 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5DQ4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosylhomocysteinase


(Mus musculus)		BDBM50008288
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-((R)-1-hydroxy...)
Show SMILES C[C@@H](O)C1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:3|
Show InChI InChI=1S/C12H15N5O3/c1-5(18)6-2-7(10(20)9(6)19)17-4-16-8-11(13)14-3-15-12(8)17/h2-5,7,9-10,18-20H,1H3,(H2,13,14,15)/t5-,7-,9-,10+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 86n/an/an/an/an/an/an/an/a



Toyo Jozo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound against L929 Cell S-adenosyl-L-homocysteine hydrolase

J Med Chem 35: 324-31 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9B1R
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)		BDBM50006223
PNG
(5-(6-Amino-purin-9-yl)-3-methyl-cyclopent-3-ene-1,...)
Show SMILES CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:1|
Show InChI InChI=1S/C11H13N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h2-4,6,8-9,17-18H,1H3,(H2,12,13,14)/t6-,8-,9+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 150n/an/an/an/an/an/an/an/a



Toyo Jozo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound against L929 Cell S-adenosyl-L-homocysteine hydrolase

J Med Chem 35: 324-31 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9B1R
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490649
PNG
(CHEMBL2337184)
Show SMILES Cc1ccc(OCCn2ccc(=O)n(Cc3cc(C)cc(C)c3)c2=O)cc1
Show InChI InChI=1S/C22H24N2O3/c1-16-4-6-20(7-5-16)27-11-10-23-9-8-21(25)24(22(23)26)15-19-13-17(2)12-18(3)14-19/h4-9,12-14H,10-11,15H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 260n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490644
PNG
(CHEMBL2337195)
Show SMILES Brc1cc(Br)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1
Show InChI InChI=1S/C20H16Br2N2O2/c21-17-11-16(12-18(22)13-17)14-24-19(25)8-10-23(20(24)26)9-4-7-15-5-2-1-3-6-15/h1-8,10-13H,9,14H2/b7-4+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 310n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490643
PNG
(CHEMBL2337196)
Show SMILES Cc1cc(Br)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1
Show InChI InChI=1S/C21H19BrN2O2/c1-16-12-18(14-19(22)13-16)15-24-20(25)9-11-23(21(24)26)10-5-8-17-6-3-2-4-7-17/h2-9,11-14H,10,15H2,1H3/b8-5+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 310n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490669
PNG
(CHEMBL2337192)
Show SMILES Cc1cc(C)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1
Show InChI InChI=1S/C22H22N2O2/c1-17-13-18(2)15-20(14-17)16-24-21(25)10-12-23(22(24)26)11-6-9-19-7-4-3-5-8-19/h3-10,12-15H,11,16H2,1-2H3/b9-6+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 550n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490662
PNG
(CHEMBL2337194)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1
Show InChI InChI=1S/C20H16Cl2N2O2/c21-17-11-16(12-18(22)13-17)14-24-19(25)8-10-23(20(24)26)9-4-7-15-5-2-1-3-6-15/h1-8,10-13H,9,14H2/b7-4+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 670n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490668
PNG
(CHEMBL2337189)
Show SMILES O=c1ccn(CCOc2ccc3ccccc3c2)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C23H20N2O3/c26-22-12-13-24(23(27)25(22)17-18-6-2-1-3-7-18)14-15-28-21-11-10-19-8-4-5-9-20(19)16-21/h1-13,16H,14-15,17H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 1.00E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490648
PNG
(CHEMBL2337186)
Show SMILES Cc1ccc(OCCn2cc(C)c(=O)n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C21H22N2O3/c1-16-8-10-19(11-9-16)26-13-12-22-14-17(2)20(24)23(21(22)25)15-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 1.00E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490646
PNG
(CHEMBL2337190)
Show SMILES Cc1ccc(OCCn2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H22N2O3/c1-18-11-13-20(14-12-18)29-16-15-25-22-10-6-5-9-21(22)23(27)26(24(25)28)17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.00E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50369380
PNG
(CHEMBL606502)
Show SMILES [#7]-c1ncnc2n(cnc12)-[#6]-1-[#8]-[#6@H](\[#6]=[#6](\Br)Br)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C11H11Br2N5O3/c12-5(13)1-4-7(19)8(20)11(21-4)18-3-17-6-9(14)15-2-16-10(6)18/h1-4,7-8,11,19-20H,(H2,14,15,16)/t4-,7-,8-,11?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.10E+3n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
The kinetic constant for inhibition of S-adenosyl-homocysteine hydrolase by the compound

J Med Chem 41: 3078-83 (1998)


Article DOI: 10.1021/jm9801410
BindingDB Entry DOI: 10.7270/Q2MC90PC
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50369381
PNG
(CHEMBL612194)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(\Br)=C/Br |r|
Show InChI InChI=1S/C11H11Br2N5O3/c12-1-4(13)8-6(19)7(20)11(21-8)18-3-17-5-9(14)15-2-16-10(5)18/h1-3,6-8,11,19-20H,(H2,14,15,16)/b4-1+/t6-,7+,8+,11?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.60E+3n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
The kinetic constant for inhibition of S-adenosyl-homocysteine hydrolase by the compound

J Med Chem 41: 3078-83 (1998)


Article DOI: 10.1021/jm9801410
BindingDB Entry DOI: 10.7270/Q2MC90PC
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50369379
PNG
(CHEMBL607755)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](\C=C(\F)Br)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H11BrFN5O3/c12-5(13)1-4-7(19)8(20)11(21-4)18-3-17-6-9(14)15-2-16-10(6)18/h1-4,7-8,11,19-20H,(H2,14,15,16)/b5-1+/t4-,7-,8-,11?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.90E+3n/an/an/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
The kinetic constant for inhibition of S-adenosyl-homocysteine hydrolase by the compound

J Med Chem 41: 3078-83 (1998)


Article DOI: 10.1021/jm9801410
BindingDB Entry DOI: 10.7270/Q2MC90PC
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490660
PNG
(CHEMBL2337187)
Show SMILES Cc1ccc(OCCn2ccc(=O)n(CCc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C21H22N2O3/c1-17-7-9-19(10-8-17)26-16-15-22-13-12-20(24)23(21(22)25)14-11-18-5-3-2-4-6-18/h2-10,12-13H,11,14-16H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.50E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490665
PNG
(CHEMBL2337181)
Show SMILES Cc1ccc(OCCn2ccc(=O)n(Cc3cccc(C)c3)c2=O)cc1
Show InChI InChI=1S/C21H22N2O3/c1-16-6-8-19(9-7-16)26-13-12-22-11-10-20(24)23(21(22)25)15-18-5-3-4-17(2)14-18/h3-11,14H,12-13,15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.60E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490642
PNG
(CHEMBL2337197)
Show SMILES O=c1ccn(C\C=C\c2ccccc2)c(=O)n1Cc1cccc2ccccc12
Show InChI InChI=1S/C24H20N2O2/c27-23-15-17-25(16-7-10-19-8-2-1-3-9-19)24(28)26(23)18-21-13-6-12-20-11-4-5-14-22(20)21/h1-15,17H,16,18H2/b10-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.60E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 7.20E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490659
PNG
(CHEMBL2337174)
Show SMILES O=c1ccn(CCOc2ccc(cc2)-c2ccccc2)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C25H22N2O3/c28-24-15-16-26(25(29)27(24)19-20-7-3-1-4-8-20)17-18-30-23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-16H,17-19H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.10E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490650
PNG
(CHEMBL2337183)
Show SMILES Cc1ccc(OCCn2ccc(=O)n(Cc3cc(C)ccc3C)c2=O)cc1
Show InChI InChI=1S/C22H24N2O3/c1-16-5-8-20(9-6-16)27-13-12-23-11-10-21(25)24(22(23)26)15-19-14-17(2)4-7-18(19)3/h4-11,14H,12-13,15H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.00E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490647
PNG
(CHEMBL2337188)
Show SMILES CC(c1ccccc1)n1c(=O)ccn(CCOc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C21H22N2O3/c1-16-8-10-19(11-9-16)26-15-14-22-13-12-20(24)23(21(22)25)17(2)18-6-4-3-5-7-18/h3-13,17H,14-15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 1.20E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490645
PNG
(CHEMBL2337193)
Show SMILES Fc1cc(F)cc(Cn2c(=O)ccn(C\C=C\c3ccccc3)c2=O)c1
Show InChI InChI=1S/C20H16F2N2O2/c21-17-11-16(12-18(22)13-17)14-24-19(25)8-10-23(20(24)26)9-4-7-15-5-2-1-3-6-15/h1-8,10-13H,9,14H2/b7-4+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.20E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490653
PNG
(CHEMBL2337173)
Show SMILES CC(C)(C)c1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C23H26N2O3/c1-23(2,3)19-9-11-20(12-10-19)28-16-15-24-14-13-21(26)25(22(24)27)17-18-7-5-4-6-8-18/h4-14H,15-17H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 1.50E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490658
PNG
(CHEMBL2337175)
Show SMILES Clc1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C19H17ClN2O3/c20-16-6-8-17(9-7-16)25-13-12-21-11-10-18(23)22(19(21)24)14-15-4-2-1-3-5-15/h1-11H,12-14H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.20E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490663
PNG
(CHEMBL2337191)
Show SMILES O=c1ccn(C\C=C\c2ccccc2)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C20H18N2O2/c23-19-13-15-21(14-7-12-17-8-3-1-4-9-17)20(24)22(19)16-18-10-5-2-6-11-18/h1-13,15H,14,16H2/b12-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.90E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490657
PNG
(CHEMBL2337182)
Show SMILES Cc1ccc(Cn2c(=O)ccn(CCOc3ccc(C)cc3)c2=O)cc1
Show InChI InChI=1S/C21H22N2O3/c1-16-3-7-18(8-4-16)15-23-20(24)11-12-22(21(23)25)13-14-26-19-9-5-17(2)6-10-19/h3-12H,13-15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 4.70E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490652
PNG
(CHEMBL2337177)
Show SMILES O=c1ccn(CCOc2ccc(cc2)C#N)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C20H17N3O3/c21-14-16-6-8-18(9-7-16)26-13-12-22-11-10-19(24)23(20(22)25)15-17-4-2-1-3-5-17/h1-11H,12-13,15H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 5.10E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490654
PNG
(CHEMBL2337201)
Show SMILES Cc1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C20H20N2O3/c1-16-7-9-18(10-8-16)25-14-13-21-12-11-19(23)22(20(21)24)15-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 5.20E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)		BDBM50008289
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-((S)-1-hydroxy...)
Show SMILES C[C@H](O)C1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:3|
Show InChI InChI=1S/C12H15N5O3/c1-5(18)6-2-7(10(20)9(6)19)17-4-16-8-11(13)14-3-15-12(8)17/h2-5,7,9-10,18-20H,1H3,(H2,13,14,15)/t5-,7+,9+,10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 5.57E+4n/an/an/an/an/an/an/an/a



Toyo Jozo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound against L929 Cell S-adenosyl-L-homocysteine hydrolase

J Med Chem 35: 324-31 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9B1R
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490656
PNG
(CHEMBL2337198)
Show SMILES O=c1ccn(CCOc2ccccc2)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H18N2O3/c22-18-11-12-20(13-14-24-17-9-5-2-6-10-17)19(23)21(18)15-16-7-3-1-4-8-16/h1-12H,13-15H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.80E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490661
PNG
(CHEMBL2337176)
Show SMILES Fc1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C19H17FN2O3/c20-16-6-8-17(9-7-16)25-13-12-21-11-10-18(23)22(19(21)24)14-15-4-2-1-3-5-15/h1-11H,12-14H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 7.10E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490664
PNG
(CHEMBL2337185)
Show SMILES Cc1ccc(OCCn2ccc(=O)n(Cc3c(C)cc(C)cc3C)c2=O)cc1
Show InChI InChI=1S/C23H26N2O3/c1-16-5-7-20(8-6-16)28-12-11-24-10-9-22(26)25(23(24)27)15-21-18(3)13-17(2)14-19(21)4/h5-10,13-14H,11-12,15H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490666
PNG
(CHEMBL2337178)
Show SMILES Cc1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1C
Show InChI InChI=1S/C21H22N2O3/c1-16-8-9-19(14-17(16)2)26-13-12-22-11-10-20(24)23(21(22)25)15-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490667
PNG
(CHEMBL2337200)
Show SMILES Cc1cccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)c1
Show InChI InChI=1S/C20H20N2O3/c1-16-6-5-9-18(14-16)25-13-12-21-11-10-19(23)22(20(21)24)15-17-7-3-2-4-8-17/h2-11,14H,12-13,15H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490651
PNG
(CHEMBL2337179)
Show SMILES Cc1cc(C)cc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)c1
Show InChI InChI=1S/C21H22N2O3/c1-16-12-17(2)14-19(13-16)26-11-10-22-9-8-20(24)23(21(22)25)15-18-6-4-3-5-7-18/h3-9,12-14H,10-11,15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490670
PNG
(CHEMBL2337180)
Show SMILES Cc1ccc(OCCn2ccc(=O)n(Cc3ccccc3C)c2=O)cc1
Show InChI InChI=1S/C21H22N2O3/c1-16-7-9-19(10-8-16)26-14-13-22-12-11-20(24)23(21(22)25)15-18-6-4-3-5-17(18)2/h3-12H,13-15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50490655
PNG
(CHEMBL2337199)
Show SMILES Cc1ccccc1OCCn1ccc(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C20H20N2O3/c1-16-7-5-6-10-18(16)25-14-13-21-12-11-19(23)22(20(21)24)15-17-8-3-2-4-9-17/h2-12H,13-15H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50006222
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:13|
Show InChI InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
n/an/a 7.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory concentration against S-adenosyl-homocysteine hydrolase

Bioorg Med Chem Lett 3: 663-666 (1993)


Article DOI: 10.1016/S0960-894X(01)81249-X
BindingDB Entry DOI: 10.7270/Q2X92BS9
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50006222
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:13|
Show InChI InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 15.2n/an/an/an/an/an/a



Toyo Jozo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.

J Med Chem 35: 324-31 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9B1R
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50006222
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:13|
Show InChI InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 15.2n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibitory activity against S-adenosyl-L-homocysteine hydrolase from rabbit erythrocytes

J Med Chem 39: 2392-9 (1996)


Article DOI: 10.1021/jm950853f
BindingDB Entry DOI: 10.7270/Q2GM8B1S
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50281613
PNG
(3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-5-hydroxyme...)
Show SMILES Nc1ccnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H16N4O3/c13-7-1-2-14-12-9(7)15-5-16(12)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory concentration against S-adenosyl-homocysteine hydrolase

Bioorg Med Chem Lett 3: 663-666 (1993)


Article DOI: 10.1016/S0960-894X(01)81249-X
BindingDB Entry DOI: 10.7270/Q2X92BS9
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50281612
PNG
(5-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-3-hydroxyme...)
Show SMILES Nc1nccc2n(cnc12)C1C=C(CO)C(O)C1O |t:13|
Show InChI InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory concentration against S-adenosyl-homocysteine hydrolase

Bioorg Med Chem Lett 3: 663-666 (1993)


Article DOI: 10.1016/S0960-894X(01)81249-X
BindingDB Entry DOI: 10.7270/Q2X92BS9
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50366323
PNG
((S)-DHPA)
Show SMILES Nc1ncnc2n(C[C@H](O)CO)cnc12 |r|
Show InChI InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)/t5-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory concentration against S-adenosyl-homocysteine hydrolase

Bioorg Med Chem Lett 3: 663-666 (1993)


Article DOI: 10.1016/S0960-894X(01)81249-X
BindingDB Entry DOI: 10.7270/Q2X92BS9
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50008288
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-((R)-1-hydroxy...)
Show SMILES C[C@@H](O)C1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |t:3|
Show InChI InChI=1S/C12H15N5O3/c1-5(18)6-2-7(10(20)9(6)19)17-4-16-8-11(13)14-3-15-12(8)17/h2-5,7,9-10,18-20H,1H3,(H2,13,14,15)/t5-,7-,9-,10+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 721n/an/an/an/an/an/a



Toyo Jozo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.

J Med Chem 35: 324-31 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9B1R
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))		BDBM50335554
PNG
(({[({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)e...)
Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O11P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-22-4-25(15,16)23-27(20,21)24-26(17,18)19/h3H,1-2,4H2,(H,15,16)(H,20,21)(H2,17,18,19)(H3,9,11,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta by microplate reader analysis

Antimicrob Agents Chemother 53: 2777-84 (2009)


Article DOI: 10.1128/AAC.00103-09
BindingDB Entry DOI: 10.7270/Q2M32W2N
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		CHEMBL5287352
PNG
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
UniChem
n/an/a 2.37E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM50084655
PNG
(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r|
Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Similars
n/an/a 2.43E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))		BDBM50335554
PNG
(({[({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)e...)
Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O11P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-22-4-25(15,16)23-27(20,21)24-26(17,18)19/h3H,1-2,4H2,(H,15,16)(H,20,21)(H2,17,18,19)(H3,9,11,12,14)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha by microplate reader analysis

Antimicrob Agents Chemother 53: 2777-84 (2009)


Article DOI: 10.1128/AAC.00103-09
BindingDB Entry DOI: 10.7270/Q2M32W2N
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 412 total )  |  Next  |  Last  >>
Jump to: