BDBM50280769 CHEMBL4167264

SMILES: CCCCCCC(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1

InChI Key: InChIKey=JWNXFYMEBWNAJO-SFQUDFHCSA-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 = 50280769   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
RAS guanyl releasing protein 3 (Homo sapiens (Human))	BDBM50280769 (CHEMBL4167264) Show SMILES CCCCCCC(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C23H29NO5/c1-3-4-5-6-11-21(26)28-16-23(15-25)13-17(22(27)29-23)12-18-14-24(2)20-10-8-7-9-19(18)20/h7-10,12,14,25H,3-6,11,13,15-16H2,1-2H3/b17-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Protein kinase C, PKC; classical/novel (Homo sapiens (Human))	BDBM50280769 (CHEMBL4167264) Show SMILES CCCCCCC(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C23H29NO5/c1-3-4-5-6-11-21(26)28-16-23(15-25)13-17(22(27)29-23)12-18-14-24(2)20-10-8-7-9-19(18)20/h7-10,12,14,25H,3-6,11,13,15-16H2,1-2H3/b17-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM50280769 (CHEMBL4167264) Show SMILES CCCCCCC(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C23H29NO5/c1-3-4-5-6-11-21(26)28-16-23(15-25)13-17(22(27)29-23)12-18-14-24(2)20-10-8-7-9-19(18)20/h7-10,12,14,25H,3-6,11,13,15-16H2,1-2H3/b17-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair