BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'kim' and Initial = 'ht'   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386918
PNG
(CHEMBL2048663)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccoc2)cc1
Show InChI InChI=1S/C21H21N5O4S/c1-2-31(28,29)26-16-5-3-14(4-6-16)7-10-23-21(27)17-8-11-22-20-18(17)24-19(25-20)15-9-12-30-13-15/h3-6,8-9,11-13,26H,2,7,10H2,1H3,(H,23,27)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386935
PNG
(CHEMBL2048680)
Show SMILES COc1ccc(cc1)-c1nc2nccc(C(=O)Nc3cnccc3C)c2[nH]1
Show InChI InChI=1S/C20H17N5O2/c1-12-7-9-21-11-16(12)23-20(26)15-8-10-22-19-17(15)24-18(25-19)13-3-5-14(27-2)6-4-13/h3-11H,1-2H3,(H,23,26)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386940
PNG
(CHEMBL2048685)
Show SMILES COc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C18H14N6O2/c1-26-14-5-8-20-10-13(14)22-18(25)12-4-9-21-17-15(12)23-16(24-17)11-2-6-19-7-3-11/h2-10H,1H3,(H,22,25)(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386939
PNG
(CHEMBL2048684)
Show SMILES COc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H14ClN5O2/c1-27-15-6-7-21-10-14(15)23-19(26)13-5-8-22-18-16(13)24-17(25-18)11-3-2-4-12(20)9-11/h2-10H,1H3,(H,23,26)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386915
PNG
(CHEMBL2048660)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C23H21F2N5O3S/c1-2-34(32,33)30-16-6-3-14(4-7-16)9-11-27-23(31)18-10-12-26-22-20(18)28-21(29-22)17-8-5-15(24)13-19(17)25/h3-8,10,12-13,30H,2,9,11H2,1H3,(H,27,31)(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386936
PNG
(CHEMBL2048681)
Show SMILES COc1cccc(c1)-c1nc2nccc(C(=O)Nc3cnccc3C)c2[nH]1
Show InChI InChI=1S/C20H17N5O2/c1-12-6-8-21-11-16(12)23-20(26)15-7-9-22-19-17(15)24-18(25-19)13-4-3-5-14(10-13)27-2/h3-11H,1-2H3,(H,23,26)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386937
PNG
(CHEMBL2048682)
Show SMILES CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1cccnc1
Show InChI InChI=1S/C19H16N6O2/c1-2-27-15-6-8-21-11-14(15)23-19(26)13-5-9-22-18-16(13)24-17(25-18)12-4-3-7-20-10-12/h3-11H,2H2,1H3,(H,23,26)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386925
PNG
(CHEMBL2048670)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccoc2)cc1
Show InChI InChI=1S/C20H19N5O4S/c1-30(27,28)25-15-4-2-13(3-5-15)6-9-22-20(26)16-7-10-21-19-17(16)23-18(24-19)14-8-11-29-12-14/h2-5,7-8,10-12,25H,6,9H2,1H3,(H,22,26)(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386917
PNG
(CHEMBL2048662)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccsc2)cc1
Show InChI InChI=1S/C21H21N5O3S2/c1-2-31(28,29)26-16-5-3-14(4-6-16)7-10-23-21(27)17-8-11-22-20-18(17)24-19(25-20)15-9-12-30-13-15/h3-6,8-9,11-13,26H,2,7,10H2,1H3,(H,23,27)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386931
PNG
(CHEMBL2048676)
Show SMILES CCN(CC)c1ccc(cc1)-c1nc2nccc(C(=O)Nc3cnccc3C)c2[nH]1
Show InChI InChI=1S/C23H24N6O/c1-4-29(5-2)17-8-6-16(7-9-17)21-27-20-18(11-13-25-22(20)28-21)23(30)26-19-14-24-12-10-15(19)3/h6-14H,4-5H2,1-3H3,(H,26,30)(H,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386932
PNG
(CHEMBL2048677)
Show SMILES COc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H14FN5O2/c1-27-15-7-8-21-10-14(15)23-19(26)13-6-9-22-18-16(13)24-17(25-18)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,23,26)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386933
PNG
(CHEMBL2048678)
Show SMILES CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H16FN5O2/c1-2-28-16-8-9-22-11-15(16)24-20(27)14-7-10-23-19-17(14)25-18(26-19)12-3-5-13(21)6-4-12/h3-11H,2H2,1H3,(H,24,27)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386914
PNG
(CHEMBL2048659)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H22FN5O3S/c1-2-33(31,32)29-18-9-3-15(4-10-18)11-13-26-23(30)19-12-14-25-22-20(19)27-21(28-22)16-5-7-17(24)8-6-16/h3-10,12,14,29H,2,11,13H2,1H3,(H,26,30)(H,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386938
PNG
(CHEMBL2048683)
Show SMILES CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1cccc(OC)c1
Show InChI InChI=1S/C21H19N5O3/c1-3-29-17-8-9-22-12-16(17)24-21(27)15-7-10-23-20-18(15)25-19(26-20)13-5-4-6-14(11-13)28-2/h4-12H,3H2,1-2H3,(H,24,27)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386920
PNG
(CHEMBL2048665)
Show SMILES Fc1ccc(cc1)-c1nc2nccc(C(=O)Nc3cccnc3)c2[nH]1
Show InChI InChI=1S/C18H12FN5O/c19-12-5-3-11(4-6-12)16-23-15-14(7-9-21-17(15)24-16)18(25)22-13-2-1-8-20-10-13/h1-10H,(H,22,25)(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386934
PNG
(CHEMBL2048679)
Show SMILES Cc1ccc(NC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C19H14FN5O/c1-11-2-7-14(10-22-11)23-19(26)15-8-9-21-18-16(15)24-17(25-18)12-3-5-13(20)6-4-12/h2-10H,1H3,(H,23,26)(H,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386928
PNG
(CHEMBL2048673)
Show SMILES Clc1ncccc1CCNC(=O)c1ccnc2nc([nH]c12)-c1ccoc1
Show InChI InChI=1S/C18H14ClN5O2/c19-15-11(2-1-6-20-15)3-7-22-18(25)13-4-8-21-17-14(13)23-16(24-17)12-5-9-26-10-12/h1-2,4-6,8-10H,3,7H2,(H,22,25)(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386927
PNG
(CHEMBL2048672)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccsc2)cc1
Show InChI InChI=1S/C21H22N6O3S2/c1-27(2)32(29,30)26-16-5-3-14(4-6-16)7-10-23-21(28)17-8-11-22-20-18(17)24-19(25-20)15-9-12-31-13-15/h3-6,8-9,11-13,26H,7,10H2,1-2H3,(H,23,28)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386941
PNG
(CHEMBL2048669)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H20ClN5O3S/c1-32(30,31)28-17-8-2-14(3-9-17)10-12-25-22(29)18-11-13-24-21-19(18)26-20(27-21)15-4-6-16(23)7-5-15/h2-9,11,13,28H,10,12H2,1H3,(H,25,29)(H,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386916
PNG
(CHEMBL2048661)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2cccs2)cc1
Show InChI InChI=1S/C21H21N5O3S2/c1-2-31(28,29)26-15-7-5-14(6-8-15)9-11-23-21(27)16-10-12-22-20-18(16)24-19(25-20)17-4-3-13-30-17/h3-8,10,12-13,26H,2,9,11H2,1H3,(H,23,27)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386926
PNG
(CHEMBL2048671)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2cccs2)cc1
Show InChI InChI=1S/C20H19N5O3S2/c1-30(27,28)25-14-6-4-13(5-7-14)8-10-22-20(26)15-9-11-21-19-17(15)23-18(24-19)16-3-2-12-29-16/h2-7,9,11-12,25H,8,10H2,1H3,(H,22,26)(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386929
PNG
(CHEMBL2048674)
Show SMILES O=C(Nc1cccnc1)c1ccnc2nc([nH]c12)-c1ccsc1
Show InChI InChI=1S/C16H11N5OS/c22-16(19-11-2-1-5-17-8-11)12-3-6-18-15-13(12)20-14(21-15)10-4-7-23-9-10/h1-9H,(H,19,22)(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386922
PNG
(CHEMBL2048666)
Show SMILES Oc1cccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H17FN4O2/c22-15-6-4-14(5-7-15)19-25-18-17(9-11-23-20(18)26-19)21(28)24-10-8-13-2-1-3-16(27)12-13/h1-7,9,11-12,27H,8,10H2,(H,24,28)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386912
PNG
(CHEMBL2048658)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccccc2)cc1
Show InChI InChI=1S/C23H23N5O3S/c1-2-32(30,31)28-18-10-8-16(9-11-18)12-14-25-23(29)19-13-15-24-22-20(19)26-21(27-22)17-6-4-3-5-7-17/h3-11,13,15,28H,2,12,14H2,1H3,(H,25,29)(H,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386919
PNG
(CHEMBL2048664)
Show SMILES Fc1ccc(cc1)-c1nc2nccc(C(=O)NCCc3ccc(F)nc3)c2[nH]1
Show InChI InChI=1S/C20H15F2N5O/c21-14-4-2-13(3-5-14)18-26-17-15(8-10-23-19(17)27-18)20(28)24-9-7-12-1-6-16(22)25-11-12/h1-6,8,10-11H,7,9H2,(H,24,28)(H,23,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386921
PNG
(CHEMBL2046466)
Show SMILES Fc1ccc(cc1)-c1nc2nccc(C(=O)NCCCc3ccc(Cl)nc3)c2[nH]1
Show InChI InChI=1S/C21H17ClFN5O/c22-17-8-3-13(12-26-17)2-1-10-25-21(29)16-9-11-24-20-18(16)27-19(28-20)14-4-6-15(23)7-5-14/h3-9,11-12H,1-2,10H2,(H,25,29)(H,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386924
PNG
(CHEMBL2048668)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H23FN6O3S/c1-30(2)34(32,33)29-18-9-3-15(4-10-18)11-13-26-23(31)19-12-14-25-22-20(19)27-21(28-22)16-5-7-17(24)8-6-16/h3-10,12,14,29H,11,13H2,1-2H3,(H,26,31)(H,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386930
PNG
(CHEMBL2048675)
Show SMILES Cc1ccncc1NC(=O)c1ccnc2nc([nH]c12)N1CCC(C1)c1ccccc1
Show InChI InChI=1/C23H22N6O/c1-15-7-10-24-13-19(15)26-22(30)18-8-11-25-21-20(18)27-23(28-21)29-12-9-17(14-29)16-5-3-2-4-6-16/h2-8,10-11,13,17H,9,12,14H2,1H3,(H,26,30)(H,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386923
PNG
(CHEMBL2048667)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H20FN5O3S/c1-32(30,31)28-17-8-2-14(3-9-17)10-12-25-22(29)18-11-13-24-21-19(18)26-20(27-21)15-4-6-16(23)7-5-15/h2-9,11,13,28H,10,12H2,1H3,(H,25,29)(H,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386913
PNG
(CHEMBL2048657)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccccc2)cc1
Show InChI InChI=1S/C24H24N4O4S/c1-2-33(31,32)28-18-10-8-16(9-11-18)14-15-25-24(30)19-12-13-20(29)22-21(19)26-23(27-22)17-6-4-3-5-7-17/h3-13,28-29H,2,14-15H2,1H3,(H,25,30)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044996
PNG
(CHEMBL3310408)
Show SMILES CCN(CC)CCNC(=O)Cc1nc(sc1C)-c1ncc(C#N)c(C)c1O
Show InChI InChI=1S/C19H25N5O2S/c1-5-24(6-2)8-7-21-16(25)9-15-13(4)27-19(23-15)17-18(26)12(3)14(10-20)11-22-17/h11,26H,5-9H2,1-4H3,(H,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50441530
PNG
(CHEMBL2436938)
Show SMILES OC(=O)CNC(=O)c1nc(C#N)c2c3ccccc3sc2c1O
Show InChI InChI=1S/C15H9N3O4S/c16-5-8-11-7-3-1-2-4-9(7)23-14(11)13(21)12(18-8)15(22)17-6-10(19)20/h1-4,21H,6H2,(H,17,22)(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5953-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.067
BindingDB Entry DOI: 10.7270/Q2XK8H1J
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045003
PNG
(CHEMBL3310402)
Show SMILES Cc1c(O)c(ncc1C#N)-c1nc(CC(=O)NCCc2ccccn2)cs1
Show InChI InChI=1S/C19H17N5O2S/c1-12-13(9-20)10-23-17(18(12)26)19-24-15(11-27-19)8-16(25)22-7-5-14-4-2-3-6-21-14/h2-4,6,10-11,26H,5,7-8H2,1H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045002
PNG
(CHEMBL3310403)
Show SMILES Cc1sc(nc1CC(=O)NCCc1ccccn1)-c1ncc(C#N)c(C)c1O
Show InChI InChI=1S/C20H19N5O2S/c1-12-14(10-21)11-24-18(19(12)27)20-25-16(13(2)28-20)9-17(26)23-8-6-15-5-3-4-7-22-15/h3-5,7,11,27H,6,8-9H2,1-2H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045006
PNG
(CHEMBL3309273)
Show SMILES Cc1sc(nc1CC(=O)NCCc1ccccn1)-c1ncc(cc1O)C#N
Show InChI InChI=1S/C19H17N5O2S/c1-12-15(9-17(26)22-7-5-14-4-2-3-6-21-14)24-19(27-12)18-16(25)8-13(10-20)11-23-18/h2-4,6,8,11,25H,5,7,9H2,1H3,(H,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044999
PNG
(CHEMBL3310405)
Show SMILES CCNC(=O)Cc1nc(sc1C)-c1ncc(C#N)c(C)c1O
Show InChI InChI=1S/C15H16N4O2S/c1-4-17-12(20)5-11-9(3)22-15(19-11)13-14(21)8(2)10(6-16)7-18-13/h7,21H,4-5H2,1-3H3,(H,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50441531
PNG
(CHEMBL2436937)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2c3ccccc3sc2c1O
Show InChI InChI=1S/C14H9ClN2O4S/c15-13-9-6-3-1-2-4-7(6)22-12(9)11(20)10(17-13)14(21)16-5-8(18)19/h1-4,20H,5H2,(H,16,21)(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5953-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.067
BindingDB Entry DOI: 10.7270/Q2XK8H1J
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50441532
PNG
(CHEMBL2436936)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2sc3ccccc3c12
Show InChI InChI=1S/C15H12N2O4S/c1-7-11-8-4-2-3-5-9(8)22-14(11)13(20)12(17-7)15(21)16-6-10(18)19/h2-5,20H,6H2,1H3,(H,16,21)(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5953-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.067
BindingDB Entry DOI: 10.7270/Q2XK8H1J
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044998
PNG
(CHEMBL3310406)
Show SMILES Oc1cc(cnc1-c1nc(CC(=O)N2CCCC2)cs1)C#N
Show InChI InChI=1S/C15H14N4O2S/c16-7-10-5-12(20)14(17-8-10)15-18-11(9-22-15)6-13(21)19-3-1-2-4-19/h5,8-9,20H,1-4,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.03E+3n/an/an/an/an/an/a



Life Science Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 40: 2363-73 (1997)


Article DOI: 10.1021/jm9607921
BindingDB Entry DOI: 10.7270/Q2TB161T
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045031
PNG
(CHEMBL3310397)
Show SMILES OC[C@H](NC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N)c1ccccc1
Show InChI InChI=1/C19H16N4O3S/c20-8-12-6-16(25)18(21-9-12)19-22-14(11-27-19)7-17(26)23-15(10-24)13-4-2-1-3-5-13/h1-6,9,11,15,24-25H,7,10H2,(H,23,26)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045042
PNG
(CHEMBL3310393)
Show SMILES OC(=O)CNC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N
Show InChI InChI=1S/C13H10N4O4S/c14-3-7-1-9(18)12(16-4-7)13-17-8(6-22-13)2-10(19)15-5-11(20)21/h1,4,6,18H,2,5H2,(H,15,19)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045030
PNG
(CHEMBL3310398)
Show SMILES OC[C@@H](NC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N)c1ccccc1
Show InChI InChI=1/C19H16N4O3S/c20-8-12-6-16(25)18(21-9-12)19-22-14(11-27-19)7-17(26)23-15(10-24)13-4-2-1-3-5-13/h1-6,9,11,15,24-25H,7,10H2,(H,23,26)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045034
PNG
(CHEMBL3310396)
Show SMILES OC(=O)[C@H](NC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N)c1ccccc1
Show InChI InChI=1/C19H14N4O4S/c20-8-11-6-14(24)17(21-9-11)18-22-13(10-28-18)7-15(25)23-16(19(26)27)12-4-2-1-3-5-12/h1-6,9-10,16,24H,7H2,(H,23,25)(H,26,27)/t16-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045038
PNG
(CHEMBL3310395)
Show SMILES OC(=O)[C@@H](NC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N)c1ccccc1
Show InChI InChI=1/C19H14N4O4S/c20-8-11-6-14(24)17(21-9-11)18-22-13(10-28-18)7-15(25)23-16(19(26)27)12-4-2-1-3-5-12/h1-6,9-10,16,24H,7H2,(H,23,25)(H,26,27)/t16-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045020
PNG
(CHEMBL3310400)
Show SMILES Oc1cc(cnc1-c1nc(CC(=O)NCCc2ccccn2)cs1)C#N
Show InChI InChI=1S/C18H15N5O2S/c19-9-12-7-15(24)17(22-10-12)18-23-14(11-26-18)8-16(25)21-6-4-13-3-1-2-5-20-13/h1-3,5,7,10-11,24H,4,6,8H2,(H,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045029
PNG
(CHEMBL3310399)
Show SMILES Oc1cc(cnc1-c1nc(CC(=O)NCCc2ccccc2)cs1)C#N
Show InChI InChI=1S/C19H16N4O2S/c20-10-14-8-16(24)18(22-11-14)19-23-15(12-26-19)9-17(25)21-7-6-13-4-2-1-3-5-13/h1-5,8,11-12,24H,6-7,9H2,(H,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044997
PNG
(CHEMBL3310407)
Show SMILES CCN(CC)CCNC(=O)Cc1csc(n1)-c1ncc(C#N)c(C)c1O
Show InChI InChI=1S/C18H23N5O2S/c1-4-23(5-2)7-6-20-15(24)8-14-11-26-18(22-14)16-17(25)12(3)13(9-19)10-21-16/h10-11,25H,4-8H2,1-3H3,(H,20,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045043
PNG
(CHEMBL3310392)
Show SMILES Oc1cc(cnc1-c1nc(CC(=O)NCc2ccccc2)cs1)C#N
Show InChI InChI=1S/C18H14N4O2S/c19-8-13-6-15(23)17(21-10-13)18-22-14(11-25-18)7-16(24)20-9-12-4-2-1-3-5-12/h1-6,10-11,23H,7,9H2,(H,20,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 91 total )  |  Next  |  Last  >>
Jump to: