BDBM50280766 CHEMBL4164402

SMILES: CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2coc3ccccc23)C(=O)O1

InChI Key: InChIKey=PKUWFMAWUYFHHA-JYRVWZFOSA-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 = 50280766   

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))	BDBM50280766 (CHEMBL4164402) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2coc3ccccc23)C(=O)O1 Show InChI InChI=1S/C20H22O6/c1-19(2,3)18(23)25-12-20(11-21)9-13(17(22)26-20)8-14-10-24-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	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
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM50280766 (CHEMBL4164402) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2coc3ccccc23)C(=O)O1 Show InChI InChI=1S/C20H22O6/c1-19(2,3)18(23)25-12-20(11-21)9-13(17(22)26-20)8-14-10-24-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8-	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	63	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
Protein kinase C, PKC; classical/novel (Homo sapiens (Human))	BDBM50280766 (CHEMBL4164402) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2coc3ccccc23)C(=O)O1 Show InChI InChI=1S/C20H22O6/c1-19(2,3)18(23)25-12-20(11-21)9-13(17(22)26-20)8-14-10-24-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8-	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	73	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