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BDBM50537741 CHEMBL4637209

SMILES: C[C@@H]1CN(CCN1C(=O)C1CC1)c1cnc(C#N)c(n1)-c1cnn(C)c1

InChI Key: InChIKey=PKHDHJSKOLMIMB-GFCCVEGCSA-N

Data: 2 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 = 50537741   
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
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50537741
PNG
(CHEMBL4637209 | US11179389, Compound 1-18)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)16-9-20-15(7-19)17(22-16)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 33n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic c-Src


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PIK3CD)(14-604)


(Homo sapiens (Human))
BDBM50537741
PNG
(CHEMBL4637209 | US11179389, Compound 1-18)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)16-9-20-15(7-19)17(22-16)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PIK3CD)(14-604)


(Homo sapiens (Human))
BDBM50537741
PNG
(CHEMBL4637209 | US11179389, Compound 1-18)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)16-9-20-15(7-19)17(22-16)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 33n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50537741
PNG
(CHEMBL4637209 | US11179389, Compound 1-18)
Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)16-9-20-15(7-19)17(22-16)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 219n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of the fibroblast growth factor receptor (FGFR1)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair