new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'hurley' and Initial = 'lh'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323917
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C24H23ClF3N3O3/c25-20-6-5-16(15-19(20)24(26,27)28)29-23(32)30-21-7-8-22(18-4-2-1-3-17(18)21)34-14-11-31-9-12-33-13-10-31/h1-8,15H,9-14H2,(H2,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323919
PNG
(4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1
Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

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



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50323918
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C
Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 10.8n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308764
PNG
(4-(3,4-Difluorophenyl)-N-(4-methyl-3-(3-methyl-4-o...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(F)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H19F5N6O2/c1-13-3-5-16(11-21(13)34-15-6-8-20-17(10-15)25(40)38(2)12-33-20)35-24(39)23-22(36-26(37-23)27(30,31)32)14-4-7-18(28)19(29)9-14/h3-12,34H,1-2H3,(H,35,39)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308757
PNG
(5-(4-Fluorophenyl)-N-(4-methyl-3-(3-methyl-4-oxo-3...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)cc2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H20F4N6O2/c1-14-3-8-18(12-21(14)33-17-9-10-20-19(11-17)25(39)37(2)13-32-20)34-24(38)23-22(15-4-6-16(28)7-5-15)35-26(36-23)27(29,30)31/h3-13,33H,1-2H3,(H,34,38)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323922
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-methyl...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H18ClF3N6O/c1-14-4-5-17(32-23(35)31-16-6-7-19(25)18(11-16)24(26,27)28)12-21(14)34-22-30-10-8-20(33-22)15-3-2-9-29-13-15/h2-13H,1H3,(H,30,33,34)(H2,31,32,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18.4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308758
PNG
(5-(3-Chloro-4-fluorophenyl)-N-(4-methyl-3-(3-methy...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(Cl)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H19ClF4N6O2/c1-13-3-5-16(11-21(13)34-15-6-8-20-17(10-15)25(40)38(2)12-33-20)35-24(39)23-22(36-26(37-23)27(30,31)32)14-4-7-19(29)18(28)9-14/h3-12,34H,1-2H3,(H,35,39)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308759
PNG
(5-(4-Fluoro-3-methylphenyl)-N-(4-methyl-3-(3-methy...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(C)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C28H22F4N6O2/c1-14-4-6-18(12-22(14)34-17-7-9-21-19(11-17)26(40)38(3)13-33-21)35-25(39)24-23(36-27(37-24)28(30,31)32)16-5-8-20(29)15(2)10-16/h4-13,34H,1-3H3,(H,35,39)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50123623
PNG
((R)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-1...)
Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccc5ccccc5c4ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C28H20FN3O4/c29-21-11-19-23-27(24(21)31-10-9-15(30)12-31)36-26-18-6-5-14-3-1-2-4-16(14)17(18)7-8-22(26)32(23)13-20(25(19)33)28(34)35/h1-8,11,13,15H,9-10,12,30H2,(H,34,35)/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of Taq DNA polymerase


J Med Chem 46: 571-83 (2003)


Article DOI: 10.1021/jm0203377
BindingDB Entry DOI: 10.7270/Q2MS3S4K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50323919
PNG
(4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1
Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 62.6n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 76.2n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 83.4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 84n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 84.8n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50323921
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl
Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92.3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308761
PNG
(CHEMBL591673 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F
Show InChI InChI=1S/C30H27F3N6O5/c1-15-6-7-18(13-21(15)35-17-8-9-20-19(12-17)28(41)39(2)14-34-20)36-27(40)25-24(37-29(38-25)30(31,32)33)16-10-22(42-3)26(44-5)23(11-16)43-4/h6-14,35H,1-5H3,(H,36,40)(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 94n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308765
PNG
(2-tert-Butyl-N-(4-methyl-3-(3-methyl-4-oxo-3,4-dih...)
Show SMILES Cc1ccc(cc1)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(C)(C)C
Show InChI InChI=1S/C31H32N6O2/c1-18-7-10-20(11-8-18)26-27(36-30(35-26)31(3,4)5)28(38)34-22-12-9-19(2)25(16-22)33-21-13-14-24-23(15-21)29(39)37(6)17-32-24/h7-17,33H,1-6H3,(H,34,38)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 96n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308760
PNG
(5-(3-Fluoro-4-methylphenyl)-N-(4-methyl-3-(3-methy...)
Show SMILES Cc1ccc(cc1F)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F
Show InChI InChI=1S/C28H22F4N6O2/c1-14-4-6-16(10-20(14)29)23-24(37-27(36-23)28(30,31)32)25(39)35-18-7-5-15(2)22(12-18)34-17-8-9-21-19(11-17)26(40)38(3)13-33-21/h4-13,34H,1-3H3,(H,35,39)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308762
PNG
(CHEMBL591526 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2cccc(c2)C(F)(F)F)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C28H20F6N6O2/c1-14-6-7-18(12-21(14)36-17-8-9-20-19(11-17)25(42)40(2)13-35-20)37-24(41)23-22(38-26(39-23)28(32,33)34)15-4-3-5-16(10-15)27(29,30)31/h3-13,36H,1-2H3,(H,37,41)(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 105n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323921
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl
Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 106n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308766
PNG
(CHEMBL605404 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2)-c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C32H26N6O2/c1-20-13-14-24(18-27(20)34-23-15-16-26-25(17-23)32(40)38(2)19-33-26)35-31(39)29-28(21-9-5-3-6-10-21)36-30(37-29)22-11-7-4-8-12-22/h3-19,34H,1-2H3,(H,35,39)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 122n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50323922
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-methyl...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H18ClF3N6O/c1-14-4-5-17(32-23(35)31-16-6-7-19(25)18(11-16)24(26,27)28)12-21(14)34-22-30-10-8-20(33-22)15-3-2-9-29-13-15/h2-13H,1H3,(H,30,33,34)(H2,31,32,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323918
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C
Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 189n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 226n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50323919
PNG
(4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1
Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 237n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50323921
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl
Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 244n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308755
PNG
(CHEMBL589415 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H21F3N6O2/c1-15-8-9-18(13-21(15)32-17-10-11-20-19(12-17)25(38)36(2)14-31-20)33-24(37)23-22(16-6-4-3-5-7-16)34-26(35-23)27(28,29)30/h3-14,32H,1-2H3,(H,33,37)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 405n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50323918
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C
Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 414n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308763
PNG
(CHEMBL591661 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2C(F)(F)F)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C28H20F6N6O2/c1-14-7-8-16(12-21(14)36-15-9-10-20-18(11-15)25(42)40(2)13-35-20)37-24(41)23-22(38-26(39-23)28(32,33)34)17-5-3-4-6-19(17)27(29,30)31/h3-13,36H,1-2H3,(H,37,41)(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 468n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50323920
PNG
(CHEMBL1213975 | N-methyl-4-(4-(3-(4-((4-methylpipe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1
Show InChI InChI=1S/C26H30N6O3/c1-27-25(33)24-17-23(11-12-28-24)35-22-9-7-21(8-10-22)30-26(34)29-20-5-3-19(4-6-20)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H2,29,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 572n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50123624
PNG
((S)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-1...)
Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccc5ccccc5c4ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C28H20FN3O4/c29-21-11-19-23-27(24(21)31-10-9-15(30)12-31)36-26-18-6-5-14-3-1-2-4-16(14)17(18)7-8-22(26)32(23)13-20(25(19)33)28(34)35/h1-8,11,13,15H,9-10,12,30H2,(H,34,35)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of Taq DNA polymerase


J Med Chem 46: 571-83 (2003)


Article DOI: 10.1021/jm0203377
BindingDB Entry DOI: 10.7270/Q2MS3S4K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50308756
PNG
(CHEMBL605198 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(cc1)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F
Show InChI InChI=1S/C28H23F3N6O2/c1-15-4-7-17(8-5-15)23-24(36-27(35-23)28(29,30)31)25(38)34-19-9-6-16(2)22(13-19)33-18-10-11-21-20(12-18)26(39)37(3)14-32-21/h4-14,33H,1-3H3,(H,34,38)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay


Bioorg Med Chem 18: 292-304 (2010)


Article DOI: 10.1016/j.bmc.2009.10.055
BindingDB Entry DOI: 10.7270/Q2SQ90H4
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50123624
PNG
((S)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-1...)
Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccc5ccccc5c4ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C28H20FN3O4/c29-21-11-19-23-27(24(21)31-10-9-15(30)12-31)36-26-18-6-5-14-3-1-2-4-16(14)17(18)7-8-22(26)32(23)13-20(25(19)33)28(34)35/h1-8,11,13,15H,9-10,12,30H2,(H,34,35)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of Taq DNA polymerase by TRAP assay


J Med Chem 46: 571-83 (2003)


Article DOI: 10.1021/jm0203377
BindingDB Entry DOI: 10.7270/Q2MS3S4K
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50123622
PNG
(6-[3-amino-(3R)-tetrahydro-1H-1-pyrrolyl]-5-fluoro...)
Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1cc4c(ccc5ccccc45)cc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C28H20FN3O4/c29-21-10-19-24-27(25(21)31-8-7-16(30)12-31)36-23-11-18-15(6-5-14-3-1-2-4-17(14)18)9-22(23)32(24)13-20(26(19)33)28(34)35/h1-6,9-11,13,16H,7-8,12,30H2,(H,34,35)/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Patents

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



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of Taq DNA polymerase


J Med Chem 46: 571-83 (2003)


Article DOI: 10.1021/jm0203377
BindingDB Entry DOI: 10.7270/Q2MS3S4K
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107617
PNG
(5-(1-Methyl-3-pyridyl)-10,15,20-tri(1-methyl-3-qui...)
Show SMILES C[n+]1cccc(c1)-c1c2ccc(n2)c(-c2c[n+](C)c3ccccc3c2)c2ccc([nH]2)c(-c2c[n+](C)c3ccccc3c2)c2ccc(n2)c(-c2c[n+](C)c3ccccc3c2)c2ccc1[nH]2
Show InChI InChI=1S/C56H44N8/c1-61-27-11-15-38(31-61)53-42-19-21-44(57-42)54(39-28-35-12-5-8-16-50(35)62(2)32-39)46-23-25-48(59-46)56(41-30-37-14-7-10-18-52(37)64(4)34-41)49-26-24-47(60-49)55(45-22-20-43(53)58-45)40-29-36-13-6-9-17-51(36)63(3)33-40/h5-34,57,60H,1-4H3/q+4/b53-42-,53-43-,54-44-,54-46-,55-45-,55-47-,56-48-,56-49-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Apparent telomerase inhibition by mixed mechanism


J Med Chem 44: 4509-23 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4WVW
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50123623
PNG
((R)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-1...)
Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccc5ccccc5c4ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C28H20FN3O4/c29-21-11-19-23-27(24(21)31-10-9-15(30)12-31)36-26-18-6-5-14-3-1-2-4-16(14)17(18)7-8-22(26)32(23)13-20(25(19)33)28(34)35/h1-8,11,13,15H,9-10,12,30H2,(H,34,35)/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of Taq DNA polymerase by TRAP assay


J Med Chem 46: 571-83 (2003)


Article DOI: 10.1021/jm0203377
BindingDB Entry DOI: 10.7270/Q2MS3S4K
More data for this
Ligand-Target Pair
Taq polymerase 1


(Thermus aquaticus)
BDBM50123621
PNG
(6-[3-amino-(3S)-tetrahydro-1H-1-pyrrolyl]-5-fluoro...)
Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1cc4c(ccc5ccccc45)cc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C28H20FN3O4/c29-21-10-19-24-27(25(21)31-8-7-16(30)12-31)36-23-11-18-15(6-5-14-3-1-2-4-17(14)18)9-22(23)32(24)13-20(26(19)33)28(34)35/h1-6,9-11,13,16H,7-8,12,30H2,(H,34,35)/t16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of Taq DNA polymerase


J Med Chem 46: 571-83 (2003)


Article DOI: 10.1021/jm0203377
BindingDB Entry DOI: 10.7270/Q2MS3S4K
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107609
PNG
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)
Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2
Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.25E+3n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism


J Med Chem 44: 4509-23 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4WVW
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107614
PNG
(5,10,15,20-tetra[5-(2-furfuryl)-N-methyl-3-pyridyl...)
Show SMILES C[n+]1cc(cc(c1)-c1c2ccc(n2)c(-c2cc(c[n+](C)c2)-c2ccco2)c2ccc([nH]2)c(-c2cc(c[n+](C)c2)-c2ccco2)c2ccc([nH]2)c(-c2cc(c[n+](C)c2)-c2ccco2)c2ccc1n2)-c1ccco1
Show InChI InChI=1S/C60H46N8O4/c1-65-29-37(53-9-5-21-69-53)25-41(33-65)57-45-13-15-47(61-45)58(42-26-38(30-66(2)34-42)54-10-6-22-70-54)49-17-19-51(63-49)60(44-28-40(32-68(4)36-44)56-12-8-24-72-56)52-20-18-50(64-52)59(48-16-14-46(57)62-48)43-27-39(31-67(3)35-43)55-11-7-23-71-55/h5-36,61-62H,1-4H3/q+4/b57-45-,57-46-,58-47-,58-49-,59-48-,59-50-,60-51-,60-52-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Apparent telomerase inhibition by primer mechanism


J Med Chem 44: 4509-23 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4WVW
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107609
PNG
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)
Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2
Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism


J Med Chem 44: 4509-23 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4WVW
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107609
PNG
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)
Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2
Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism


J Med Chem 44: 4509-23 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4WVW
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107611
PNG
(5,15-Di(1-Methyl-3-pyridyl)-10,20-di(1-methyl-3-qu...)
Show SMILES C[n+]1cccc(c1)-c1c2ccc(n2)c(-c2c[n+](C)c3ccccc3c2)c2ccc(n2)c(-c2ccc[n+](C)c2)c2ccc([nH]2)c(-c2c[n+](C)c3ccccc3c2)c2ccc1[nH]2
Show InChI InChI=1S/C52H42N8/c1-57-25-9-13-35(29-57)49-39-17-21-43(53-39)51(37-27-33-11-5-7-15-47(33)59(3)31-37)45-23-19-41(55-45)50(36-14-10-26-58(2)30-36)42-20-24-46(56-42)52(44-22-18-40(49)54-44)38-28-34-12-6-8-16-48(34)60(4)32-38/h5-32,53,55H,1-4H3/q+4/b49-39-,49-40-,50-41-,50-42-,51-43-,51-45-,52-44-,52-46-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Apparent telomerase inhibition by mixed mechanism


J Med Chem 44: 4509-23 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4WVW
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50107613
PNG
(5,10,15,20-tetra(1-methyl-3-pyridyl)-porphyrin chl...)
Show SMILES C[n+]1cccc(c1)-c1c2ccc(n2)c(-c2ccc[n+](C)c2)c2ccc([nH]2)c(-c2ccc[n+](C)c2)c2ccc([nH]2)c(-c2ccc[n+](C)c2)c2ccc1n2
Show InChI InChI=1S/C44H38N8/c1-49-21-5-9-29(25-49)41-33-13-15-35(45-33)42(30-10-6-22-50(2)26-30)37-17-19-39(47-37)44(32-12-8-24-52(4)28-32)40-20-18-38(48-40)43(36-16-14-34(41)46-36)31-11-7-23-51(3)27-31/h5-28,45-46H,1-4H3/q+4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism


J Med Chem 44: 4509-23 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4WVW
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50369960
PNG
(CHEMBL1204019)
Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cccc(c2)[N+]([O-])=O)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2
Show InChI InChI=1S/C44H34N8O2/c1-49-21-15-28(16-22-49)41-33-7-9-35(45-33)42(29-17-23-50(2)24-18-29)37-11-13-39(47-37)44(31-5-4-6-32(27-31)52(53)54)40-14-12-38(48-40)43(36-10-8-34(41)46-36)30-19-25-51(3)26-20-30/h4-27H,1-3H3,(H,45,46,47,48)/q+2/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism


J Med Chem 44: 4509-23 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4WVW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50323917
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C24H23ClF3N3O3/c25-20-6-5-16(15-19(20)24(26,27)28)29-23(32)30-21-7-8-22(18-4-2-1-3-17(18)21)34-14-11-31-9-12-33-13-10-31/h1-8,15H,9-14H2,(H2,29,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50369963
PNG
(CHEMBL1202375)
Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)C(=O)NCCBr)c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cccc(c2)C(=O)NCCBr)c2ccc1[nH]2
Show InChI InChI=1S/C50H40Br2N8O2/c1-59-26-18-32(19-27-59)46-39-12-10-37(55-39)45(31-6-8-34(9-7-31)49(61)53-24-22-51)38-11-13-40(56-38)47(33-20-28-60(2)29-21-33)42-15-17-44(58-42)48(43-16-14-41(46)57-43)35-4-3-5-36(30-35)50(62)54-25-23-52/h3-21,26-30H,22-25H2,1-2H3,(H2-,53,54,55,56,57,58,61,62)/p+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Apparent telomerase inhibition by mixed mechanism


J Med Chem 44: 4509-23 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4WVW
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 65 total )  |  Next  |  Last  >>
Jump to: