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

Found 212 hits with Last Name = 'lord' and Initial = 'j'   
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
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224275
PNG
(CHEMBL278717)
Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)OCC)ccc3O |THB:9:8:16:4.5.6|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 116-20 (1982)


BindingDB Entry DOI: 10.7270/Q2NZ89V4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328774
PNG
(2-(3-(3-cyclopentyl-5-(3-(2,3-dichlorophenyl)ureid...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C1CCCC1
Show InChI InChI=1S/C23H23Cl2N5O2/c24-17-9-4-10-18(22(17)25)27-23(32)28-21-13-19(15-6-1-2-7-15)29-30(21)16-8-3-5-14(11-16)12-20(26)31/h3-5,8-11,13,15H,1-2,6-7,12H2,(H2,26,31)(H2,27,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328768
PNG
(1-(5-tert-Butyl-2-{4-[2-(1,1-dioxo-1lambda6-thiomo...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1ccc(CC(=O)N2CCS(=O)(=O)CC2)cc1
Show InChI InChI=1S/C26H29Cl2N5O4S/c1-26(2,3)21-16-22(30-25(35)29-20-6-4-5-19(27)24(20)28)33(31-21)18-9-7-17(8-10-18)15-23(34)32-11-13-38(36,37)14-12-32/h4-10,16H,11-15H2,1-3H3,(H2,29,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

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



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224275
PNG
(CHEMBL278717)
Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)OCC)ccc3O |THB:9:8:16:4.5.6|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 116-20 (1982)


BindingDB Entry DOI: 10.7270/Q2NZ89V4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

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



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328774
PNG
(2-(3-(3-cyclopentyl-5-(3-(2,3-dichlorophenyl)ureid...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C1CCCC1
Show InChI InChI=1S/C23H23Cl2N5O2/c24-17-9-4-10-18(22(17)25)27-23(32)28-21-13-19(15-6-1-2-7-15)29-30(21)16-8-3-5-14(11-16)12-20(26)31/h3-5,8-11,13,15H,1-2,6-7,12H2,(H2,26,31)(H2,27,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

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



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of CRAF


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192902
PNG
(US9193689, IQ-034)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C19H20N2O/c1-13-5-4-6-16-17(13)11-18(20-19(16)22)15-9-7-14(8-10-15)12-21(2)3/h4-11H,12H2,1-3H3,(H,20,22)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 116-20 (1982)


BindingDB Entry DOI: 10.7270/Q2NZ89V4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328773
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(thiophen...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccsc1
Show InChI InChI=1S/C22H17Cl2N5O2S/c23-16-5-2-6-17(21(16)24)26-22(31)27-20-11-18(14-7-8-32-12-14)28-29(20)15-4-1-3-13(9-15)10-19(25)30/h1-9,11-12H,10H2,(H2,25,30)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192904
PNG
(US9193689, IQ-130)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C20H22N2O2/c1-14-5-4-6-17-18(14)13-19(21-20(17)23)15-7-9-16(10-8-15)24-12-11-22(2)3/h4-10,13H,11-12H2,1-3H3,(H,21,23)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50218682
PNG
(CHEMBL243575 | N-[2-(5-tert-butyl-3-methanesulfony...)
Show SMILES COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C30H33N5O5S2/c1-30(2,3)19-14-22(26(40-4)23(15-19)35-42(5,38)39)34-29(37)24-13-17-7-6-8-21(27(17)41-24)33-28(36)18-9-12-25(31-16-18)32-20-10-11-20/h6-9,12-16,20,35H,10-11H2,1-5H3,(H,31,32)(H,33,36)(H,34,37)
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 16n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK2


J Med Chem 50: 4016-26 (2007)


Article DOI: 10.1021/jm070415w
BindingDB Entry DOI: 10.7270/Q2697382
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328769
PNG
(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C26H27N5O2/c1-26(2,3)22-16-24(31(30-22)19-11-6-8-17(14-19)15-23(27)32)29-25(33)28-21-13-7-10-18-9-4-5-12-20(18)21/h4-14,16H,15H2,1-3H3,(H2,27,32)(H2,28,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224274
PNG
(CHEMBL2304423)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)OC)ccc3O |THB:10:9:17:4.5.6|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



TBA

Curated by ChEMBL




J Med Chem 25: 116-20 (1982)


BindingDB Entry DOI: 10.7270/Q2NZ89V4
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192909
PNG
(US9193689, IQ-222)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cn1)-c1cc2c(C)cc(F)cc2c(=O)[nH]1
Show InChI InChI=1S/C21H21FN4O2/c1-13-9-15(22)10-17-16(13)11-19(24-20(17)27)14-3-4-18(23-12-14)21(28)26-7-5-25(2)6-8-26/h3-4,9-12H,5-8H2,1-2H3,(H,24,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192895
PNG
(US9193689, IQ-025)
Show SMILES CN1CCN(CC1)c1ncc(cn1)-c1cc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C19H21N5O/c1-13-4-3-5-15-16(13)10-17(22-18(15)25)14-11-20-19(21-12-14)24-8-6-23(2)7-9-24/h3-5,10-12H,6-9H2,1-2H3,(H,22,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192905
PNG
(US9193689, REF-5)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C19H20N2O2/c1-21(2)11-12-23-16-9-7-14(8-10-16)18-13-15-5-3-4-6-17(15)19(22)20-18/h3-10,13H,11-12H2,1-2H3,(H,20,22)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50328755
PNG
(2-(3-(3-tert-butyl-5-(3-(2,3-dichlorophenyl)ureido...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-22(2,3)17-12-19(27-21(31)26-16-9-5-8-15(23)20(16)24)29(28-17)14-7-4-6-13(10-14)11-18(25)30/h4-10,12H,11H2,1-3H3,(H2,25,30)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of BRAF


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192903
PNG
(US9193689, REF-4)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C18H18N2O/c1-20(2)12-13-7-9-14(10-8-13)17-11-15-5-3-4-6-16(15)18(21)19-17/h3-11H,12H2,1-2H3,(H,19,21)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224274
PNG
(CHEMBL2304423)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)OC)ccc3O |THB:10:9:17:4.5.6|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 116-20 (1982)


BindingDB Entry DOI: 10.7270/Q2NZ89V4
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192899
PNG
(US9193689, IQ-003)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C20H22N4O/c1-14-4-3-5-16-17(14)12-18(22-20(16)25)15-6-7-19(21-13-15)24-10-8-23(2)9-11-24/h3-7,12-13H,8-11H2,1-2H3,(H,22,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 116-20 (1982)


BindingDB Entry DOI: 10.7270/Q2NZ89V4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328769
PNG
(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CC(N)=O)c1
Show InChI InChI=1S/C26H27N5O2/c1-26(2,3)22-16-24(31(30-22)19-11-6-8-17(14-19)15-23(27)32)29-25(33)28-21-13-7-10-18-9-4-5-12-20(18)21/h4-14,16H,15H2,1-3H3,(H2,27,32)(H2,28,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224277
PNG
(CHEMBL280309)
Show SMILES [H][C@@]12Oc3c4c(CC5N(CC=C)CC[C@@]14[C@]5(CCC2=O)OCC)ccc3O |THB:9:8:15:4.5.6|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 116-20 (1982)


BindingDB Entry DOI: 10.7270/Q2NZ89V4
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192901
PNG
(US9193689, REF-3)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C19H20N4O/c1-22-8-10-23(11-9-22)18-7-6-15(13-20-18)17-12-14-4-2-3-5-16(14)19(24)21-17/h2-7,12-13H,8-11H2,1H3,(H,21,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192907
PNG
(US9193689, REF-6)
Show SMILES Oc1cccc2c1cc([nH]c2=O)-c1cnc(nc1)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C21H21N5O3/c27-18-3-1-2-15-16(18)10-17(24-19(15)28)14-11-22-21(23-12-14)26-8-6-25(7-9-26)20(29)13-4-5-13/h1-3,10-13,27H,4-9H2,(H,24,28)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50212764
PNG
(CHEMBL233338 | N-(1-(3-aminopropyl)-5-(N-methylcyc...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C23H29N5O2S/c1-27(22(30)16-7-3-2-4-8-16)17-10-11-19-18(15-17)25-23(28(19)13-6-12-24)26-21(29)20-9-5-14-31-20/h5,9-11,14-16H,2-4,6-8,12-13,24H2,1H3,(H,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ITK by DELFIA assay


Bioorg Med Chem Lett 17: 3660-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.045
BindingDB Entry DOI: 10.7270/Q2CV4HF6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328771
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(2-fluoro...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccccc1F
Show InChI InChI=1S/C24H18Cl2FN5O2/c25-17-8-4-10-19(23(17)26)29-24(34)30-22-13-20(16-7-1-2-9-18(16)27)31-32(22)15-6-3-5-14(11-15)12-21(28)33/h1-11,13H,12H2,(H2,28,33)(H2,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224277
PNG
(CHEMBL280309)
Show SMILES [H][C@@]12Oc3c4c(CC5N(CC=C)CC[C@@]14[C@]5(CCC2=O)OCC)ccc3O |THB:9:8:15:4.5.6|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 116-20 (1982)


BindingDB Entry DOI: 10.7270/Q2NZ89V4
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192908
PNG
(US9193689, IQ-220)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cn1)-c1cc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C21H22N4O2/c1-14-4-3-5-16-17(14)12-19(23-20(16)26)15-6-7-18(22-13-15)21(27)25-10-8-24(2)9-11-25/h3-7,12-13H,8-11H2,1-2H3,(H,23,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328766
PNG
(1-(3-tert-butyl-1-(4-(hydroxymethyl)phenyl)-1H-pyr...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1ccc(CO)cc1
Show InChI InChI=1S/C25H26N4O2/c1-25(2,3)22-15-23(29(28-22)19-13-11-17(16-30)12-14-19)27-24(31)26-21-10-6-8-18-7-4-5-9-20(18)21/h4-15,30H,16H2,1-3H3,(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

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



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328773
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(thiophen...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccsc1
Show InChI InChI=1S/C22H17Cl2N5O2S/c23-16-5-2-6-17(21(16)24)26-22(31)27-20-11-18(14-7-8-32-12-14)28-29(20)15-4-1-3-13(9-15)10-19(25)30/h1-9,11-12H,10H2,(H2,25,30)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192897
PNG
(US9193689, IQ-080)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3c(C)cc(F)cc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H24FN3O/c1-15-11-18(23)12-20-19(15)13-21(24-22(20)27)17-5-3-16(4-6-17)14-26-9-7-25(2)8-10-26/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192896
PNG
(US9193689, REF-1)
Show SMILES CN1CCN(CC1)c1ncc(cn1)-c1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C18H19N5O/c1-22-6-8-23(9-7-22)18-19-11-14(12-20-18)16-10-13-4-2-3-5-15(13)17(24)21-16/h2-5,10-12H,6-9H2,1H3,(H,21,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192912
PNG
(US9193689, REF-8)
Show SMILES COc1ccc(nc1)-c1cc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-10-4-3-5-12-13(10)8-15(18-16(12)19)14-7-6-11(20-2)9-17-14/h3-9H,1-2H3,(H,18,19)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192900
PNG
(US9193689, IQ-002)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cc2c(Cl)cccc2c(=O)[nH]1
Show InChI InChI=1S/C19H19ClN4O/c1-23-7-9-24(10-8-23)18-6-5-13(12-21-18)17-11-15-14(19(25)22-17)3-2-4-16(15)20/h2-6,11-12H,7-10H2,1H3,(H,22,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328771
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(2-fluoro...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1ccccc1F
Show InChI InChI=1S/C24H18Cl2FN5O2/c25-17-8-4-10-19(23(17)26)29-24(34)30-22-13-20(16-7-1-2-9-18(16)27)31-32(22)15-6-3-5-14(11-15)12-21(28)33/h1-11,13H,12H2,(H2,28,33)(H2,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192910
PNG
(US9193689, REF-7)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cn1)-c1cc2c(O)cccc2c(=O)[nH]1
Show InChI InChI=1S/C20H20N4O3/c1-23-7-9-24(10-8-23)20(27)16-6-5-13(12-21-16)17-11-15-14(19(26)22-17)3-2-4-18(15)25/h2-6,11-12,25H,7-10H2,1H3,(H,22,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 42n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

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



TBA

Curated by ChEMBL




J Med Chem 25: 116-20 (1982)


BindingDB Entry DOI: 10.7270/Q2NZ89V4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328762
PNG
(1-(3-tert-butyl-1-(3-(2-morpholino-2-oxoethyl)phen...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CC(=O)N2CCOCC2)c1
Show InChI InChI=1S/C30H33N5O3/c1-30(2,3)26-20-27(32-29(37)31-25-13-7-10-22-9-4-5-12-24(22)25)35(33-26)23-11-6-8-21(18-23)19-28(36)34-14-16-38-17-15-34/h4-13,18,20H,14-17,19H2,1-3H3,(H2,31,32,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328772
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(thiophen...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1cccs1
Show InChI InChI=1S/C22H17Cl2N5O2S/c23-15-6-2-7-16(21(15)24)26-22(31)27-20-12-17(18-8-3-9-32-18)28-29(20)14-5-1-4-13(10-14)11-19(25)30/h1-10,12H,11H2,(H2,25,30)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192898
PNG
(US9193689, REF-2)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3ccc(F)cc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C21H22FN3O/c1-24-8-10-25(11-9-24)14-15-2-4-16(5-3-15)20-12-17-6-7-18(22)13-19(17)21(26)23-20/h2-7,12-13H,8-11,14H2,1H3,(H,23,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 48n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328767
PNG
(3-(4-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C27H28N4O3/c1-27(2,3)23-17-24(31(30-23)20-14-11-18(12-15-20)13-16-25(32)33)29-26(34)28-22-10-6-8-19-7-4-5-9-21(19)22/h4-12,14-15,17H,13,16H2,1-3H3,(H,32,33)(H2,28,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Tankyrase-1 (TNKS1)


(Homo sapiens (Human))
BDBM192906
PNG
(US9193689, IQ-157)
Show SMILES Cc1cccc2c1cc([nH]c2=O)-c1cnc(nc1)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C22H23N5O2/c1-14-3-2-4-17-18(14)11-19(25-20(17)28)16-12-23-22(24-13-16)27-9-7-26(8-10-27)21(29)15-5-6-15/h2-4,11-13,15H,5-10H2,1H3,(H,25,28)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a



INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...


US Patent US9193689 (2015)


BindingDB Entry DOI: 10.7270/Q29S1PTR
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224276
PNG
(CHEMBL277122)
Show SMILES [H][C@@]12Oc3c4c(CC5N(CC=C)CC[C@@]14[C@]5(CCC2=O)OC)ccc3O |THB:9:8:15:4.5.6|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 116-20 (1982)


BindingDB Entry DOI: 10.7270/Q2NZ89V4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327187
PNG
(1-{5-tert-Butyl-2-[3-(1,1,3-trioxo-1lambda*6*-[1,2...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CN2C(O)=CNS2(=O)=O)c1 |c:30|
Show InChI InChI=1S/C23H25ClN6O4S/c1-23(2,3)19-12-20(27-22(32)26-17-9-7-16(24)8-10-17)30(28-19)18-6-4-5-15(11-18)14-29-21(31)13-25-35(29,33)34/h4-13,25,31H,14H2,1-3H3,(H2,26,27,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50212789
PNG
(1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(t...)
Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCCCC(N)=O)c(NC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C25H31N5O3S/c1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31/h7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H2,26,31)(H,27,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ITK by DELFIA assay


Bioorg Med Chem Lett 17: 3660-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.045
BindingDB Entry DOI: 10.7270/Q2CV4HF6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50212761
PNG
(1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(o...)
Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3cnco3)nc2c1
Show InChI InChI=1S/C22H26N6O4/c1-27(15-5-3-2-4-6-15)21(31)14-7-8-17-16(11-14)25-22(28(17)10-9-19(23)29)26-20(30)18-12-24-13-32-18/h7-8,11-13,15H,2-6,9-10H2,1H3,(H2,23,29)(H,25,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ITK by DELFIA assay


Bioorg Med Chem Lett 17: 3660-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.045
BindingDB Entry DOI: 10.7270/Q2CV4HF6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50328772
PNG
(2-(3-(5-(3-(2,3-dichlorophenyl)ureido)-3-(thiophen...)
Show SMILES NC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Cl)c1Cl)-c1cccs1
Show InChI InChI=1S/C22H17Cl2N5O2S/c23-15-6-2-7-16(21(15)24)26-22(31)27-20-12-17(18-8-3-9-32-18)28-29(20)14-5-1-4-13(10-14)11-19(25)30/h1-10,12H,11H2,(H2,25,30)(H2,26,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Deciphera Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay


Bioorg Med Chem Lett 20: 5793-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.134
BindingDB Entry DOI: 10.7270/Q2XD11WK
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 212 total )  |  Next  |  Last  >>
Jump to: