Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50040826 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Casein kinase I isoform gamma-2
(Homo sapiens (Human)) | BDBM50400753
(CHEMBL2203565)Show SMILES COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C21H19F2N3O3/c1-11-5-15(22)16(23)8-19(11)29-10-12-6-13(20(28-2)9-25-12)18-7-14-17(26-18)3-4-24-21(14)27/h5-9,26H,3-4,10H2,1-2H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured... |
ACS Med Chem Lett 3: 1059-1064 (2012)
Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform gamma-2
(Homo sapiens (Human)) | BDBM50400755
(CHEMBL2203563)Show SMILES COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-11(10-28-12-2-3-15(21)16(22)7-12)6-13(19)18-8-14-17(25-18)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured... |
ACS Med Chem Lett 3: 1059-1064 (2012)
Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Casein kinase I isoform gamma-2
(Homo sapiens (Human)) | BDBM50400756
(CHEMBL2203562)Show SMILES COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C20H17F2N3O3/c1-27-19-9-24-12(10-28-18-3-2-11(21)6-15(18)22)7-13(19)17-8-14-16(25-17)4-5-23-20(14)26/h2-3,6-9,25H,4-5,10H2,1H3,(H,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 394 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured... |
ACS Med Chem Lett 3: 1059-1064 (2012)
Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform gamma-2
(Homo sapiens (Human)) | BDBM50400754
(CHEMBL2203564)Show SMILES COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 537 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured... |
ACS Med Chem Lett 3: 1059-1064 (2012)
Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform gamma-2
(Homo sapiens (Human)) | BDBM50400757
(CHEMBL2203561)Show SMILES COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C20H18FN3O3/c1-26-19-10-23-13(11-27-14-4-2-12(21)3-5-14)8-15(19)18-9-16-17(24-18)6-7-22-20(16)25/h2-5,8-10,24H,6-7,11H2,1H3,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 584 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured... |
ACS Med Chem Lett 3: 1059-1064 (2012)
Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform gamma-2
(Homo sapiens (Human)) | BDBM50400744
(CHEMBL2203560)Show SMILES COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C21H20FN3O2/c1-27-20-12-24-15(7-4-13-2-5-14(22)6-3-13)10-16(20)19-11-17-18(25-19)8-9-23-21(17)26/h2-3,5-6,10-12,25H,4,7-9H2,1H3,(H,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured... |
ACS Med Chem Lett 3: 1059-1064 (2012)
Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform gamma-2
(Homo sapiens (Human)) | BDBM50400752
(CHEMBL2203552)Show SMILES COc1cnc(nc1-c1cc2c(CCNC2=O)[nH]1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C21H17N5O2/c1-28-18-11-24-20(13-8-12-4-2-3-5-15(12)23-10-13)26-19(18)17-9-14-16(25-17)6-7-22-21(14)27/h2-5,8-11,25H,6-7H2,1H3,(H,22,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured... |
ACS Med Chem Lett 3: 1059-1064 (2012)
Article DOI: 10.1021/ml300278f
BindingDB Entry DOI: 10.7270/Q21V5G41 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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