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BDBM317465 4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)phenyl)-7H- pyrrolo[2,3-d]pyrimidin-2- ylamino)-3-methoxy-N- methylbenzamide::US9623028, Compound 79

SMILES: CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12

InChI Key: InChIKey=YMYOREROCXXANC-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 317465   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM317465
PNG
(4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12
Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.38n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...


US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM317465
PNG
(4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12
Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...


US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM317465
PNG
(4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12
Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.91n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...


US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM317465
PNG
(4-(4-(cyclopentyloxy)-5-(4- (methylcarbamoyl)pheny...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12
Show InChI InChI=1S/C28H30N6O4/c1-29-25(35)17-10-8-16(9-11-17)20-15-31-24-23(20)27(38-19-6-4-5-7-19)34-28(33-24)32-21-13-12-18(26(36)30-2)14-22(21)37-3/h8-15,19H,4-7H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 58.6n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...


US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair