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

Found 394 hits with Last Name = 'blanco-aparicio' and Initial = 'c'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by HTRF assay


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta by HTRF assay


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
62.9n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
94.1n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta by HTRF assay


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350270
PNG
(US10208056, Compound 105)
Show SMILES CCn1c(C(N)=O)c(Cl)c2c1-c1ccncc1OC21CCCCC1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350268
PNG
(US10208056, Compound 96)
Show SMILES CCn1c(cc2[C@H](Oc3cnccc3-c12)C1CCOCC1)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350265
PNG
(US10208056, Compound 92)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCOCC2)n1CCF
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350267
PNG
(US10208056, Compound 95)
Show SMILES CCn1c(cc2[C@@H](Oc3cnccc3-c12)C1CCOCC1)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350239
PNG
(US10208056, Compound 66)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCC1)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.191n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350249
PNG
(US10208056, Compound 76)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCC2)n1CCF
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.262n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350256
PNG
(US10208056, Compound 83)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCCCC1)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.278n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350253
PNG
(US10208056, Compound 80)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCCCC1)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.314n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50388111
PNG
(CHEMBL2058163)
Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19)
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 0.400n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350262
PNG
(US10208056, Compound 89)
Show SMILES CCn1c(cc2[C@@H](Oc3cnccc3-c12)C1CCCCC1)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.407n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350240
PNG
(US10208056, Compound 67)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCC1)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.466n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350259
PNG
(US10208056, Compound 86)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(C3CC3)c12
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.480n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50388109
PNG
(CHEMBL2058165)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)
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 0.600n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350253
PNG
(US10208056, Compound 80)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCCCC1)C(N)=O
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.770n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50364777
PNG
(CHEMBL1952142)
Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350249
PNG
(US10208056, Compound 76)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCC2)n1CCF
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.827n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
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 0.900n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364777
PNG
(CHEMBL1952142)
Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350211
PNG
(US10208056, Compound 43)
Show SMILES CCn1c(cc2c1-c1ccncc1OC2(C)C)C(N)=O
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.09n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350252
PNG
(US10208056, Compound 79)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCN(CC(F)(F)F)CC1)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.11n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350263
PNG
(US10208056, Compound 90)
Show SMILES CCn1c(cc2[C@H](Oc3cnccc3-c12)C1CCCCC1)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.36n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350220
PNG
(US10208056, Compound 52)
Show SMILES CC1(C)Oc2cnccc2-c2c1cc(C(N)=O)n2CCF
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350202
PNG
(US10208056, Compound 34)
Show SMILES CC1(C)Oc2cncc(Cl)c2-c2[nH]c(cc12)C(N)=O
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350190
PNG
(US10208056, Compound 22)
Show SMILES Cn1c(cc2c1-c1ccncc1OC2(C)C)C(N)=O
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350183
PNG
(US10208056, Compound 15)
Show SMILES NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCC1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350227
PNG
(US10208056, Compound 57)
Show SMILES NC(=O)c1cc2C(Oc3cnccc3-c2[nH]1)C1CCCCC1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350220
PNG
(US10208056, Compound 52)
Show SMILES CC1(C)Oc2cnccc2-c2c1cc(C(N)=O)n2CCF
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350211
PNG
(US10208056, Compound 43)
Show SMILES CCn1c(cc2c1-c1ccncc1OC2(C)C)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350263
PNG
(US10208056, Compound 90)
Show SMILES CCn1c(cc2[C@H](Oc3cnccc3-c12)C1CCCCC1)C(N)=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350262
PNG
(US10208056, Compound 89)
Show SMILES CCn1c(cc2[C@@H](Oc3cnccc3-c12)C1CCCCC1)C(N)=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350256
PNG
(US10208056, Compound 83)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCCCC1)C(N)=O
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350240
PNG
(US10208056, Compound 67)
Show SMILES Cn1c(cc2c1-c1ccncc1OC21CCC1)C(N)=O
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350239
PNG
(US10208056, Compound 66)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCC1)C(N)=O
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350257
PNG
(US10208056, Compound 84)
Show SMILES NC(=O)c1cc2c(-c3ccncc3OC22CCCCC2)n1CCF
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364778
PNG
(CHEMBL1952143)
Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C20H27N7O/c1-26(2)15-5-4-6-16(11-15)27-20-19(24-25-27)17(28-3)12-18(23-20)22-13-14-7-9-21-10-8-14/h4-6,11-12,14,21H,7-10,13H2,1-3H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50388111
PNG
(CHEMBL2058163)
Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19)
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 1.80n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350183
PNG
(US10208056, Compound 15)
Show SMILES NC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCC1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.96n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350190
PNG
(US10208056, Compound 22)
Show SMILES Cn1c(cc2c1-c1ccncc1OC2(C)C)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.98n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350202
PNG
(US10208056, Compound 34)
Show SMILES CC1(C)Oc2cncc(Cl)c2-c2[nH]c(cc12)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350255
PNG
(US10208056, Compound 82)
Show SMILES CCn1c(cc2c1-c1ccncc1OC21CCOCC1)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.19n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350269
PNG
(US10208056, Compound 104)
Show SMILES CCn1c(C(N)=O)c(Cl)c2c1-c1ccncc1OC21CCOCC1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.41n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50364778
PNG
(CHEMBL1952143)
Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C20H27N7O/c1-26(2)15-5-4-6-16(11-15)27-20-19(24-25-27)17(28-3)12-18(23-20)22-13-14-7-9-21-10-8-14/h4-6,11-12,14,21H,7-10,13H2,1-3H3,(H,22,23)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350169
PNG
(US10208056, Compound 1)
Show SMILES CC1(C)Oc2cnccc2-c2[nH]c(cc12)C(N)=O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.59n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM350266
PNG
(US10208056, Compound 94)
Show SMILES CCn1c(C(N)=O)c(C2CC2)c2c1-c1ccncc1OC2(C)C
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.65n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50388108
PNG
(CHEMBL2058166)
Show SMILES COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H22N8O3/c1-28-5-2-20-17(27)14-11-26-10-13(12-8-21-18(19)22-9-12)23-15(16(26)24-14)25-3-6-29-7-4-25/h8-11H,2-7H2,1H3,(H,20,27)(H2,19,21,22)
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 2.70n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM350182
PNG
(US10208056, Compound 14)
Show SMILES OC(=O)c1cc2c([nH]1)-c1ccncc1OC21CCCCC1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.01n/an/an/an/an/an/a



FUNDACIÓN DEL SECTOR PÚBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (F.S.P. CNIO)

US Patent




US Patent US10208056 (2019)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 394 total )  |  Next  |  Last  >>
Jump to: