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BDBM50280765 CHEMBL4160647

SMILES: Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12

InChI Key: InChIKey=INDMCILJGPHHCG-NTUHNPAUSA-N

Data: 3 KI

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 3 hits for monomerid = 50280765   
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
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50280765
PNG
(CHEMBL4160647)
Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H24ClNO5/c1-20(2,3)19(26)27-12-21(11-24)9-13(18(25)28-21)7-14-10-23(4)17-6-5-15(22)8-16(14)17/h5-8,10,24H,9,11-12H2,1-4H3/b13-7+
Reactome pathway
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PC cid
PC sid
UniChem

Similars

PubMed
1n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting


J Med Chem 61: 6261-6276 (2018)


BindingDB Entry DOI: 10.7270/Q28P632D
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50280765
PNG
(CHEMBL4160647)
Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H24ClNO5/c1-20(2,3)19(26)27-12-21(11-24)9-13(18(25)28-21)7-14-10-23(4)17-6-5-15(22)8-16(14)17/h5-8,10,24H,9,11-12H2,1-4H3/b13-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
39n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...


J Med Chem 61: 6261-6276 (2018)


BindingDB Entry DOI: 10.7270/Q28P632D
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50280765
PNG
(CHEMBL4160647)
Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H24ClNO5/c1-20(2,3)19(26)27-12-21(11-24)9-13(18(25)28-21)7-14-10-23(4)17-6-5-15(22)8-16(14)17/h5-8,10,24H,9,11-12H2,1-4H3/b13-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
42n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from full length recombinant human PKCalpha expressed in baculovirus expression system after 5 mins by scintillation countin...


J Med Chem 61: 6261-6276 (2018)


BindingDB Entry DOI: 10.7270/Q28P632D
More data for this
Ligand-Target Pair