BDBM50280743 CHEMBL4160009

SMILES: Cn1cc(\C=C2/CC(CO)(COC(=O)\C=C\c3ccccc3)OC2=O)c2ccccc12

InChI Key: InChIKey=WLEQZZURIGPVJT-DUPDGBOPSA-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 = 50280743   

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))	BDBM50280743 (CHEMBL4160009) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)\C=C\c3ccccc3)OC2=O)c2ccccc12 Show InChI InChI=1S/C25H23NO5/c1-26-15-20(21-9-5-6-10-22(21)26)13-19-14-25(16-27,31-24(19)29)17-30-23(28)12-11-18-7-3-2-4-8-18/h2-13,15,27H,14,16-17H2,1H3/b12-11+,19-13+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	25	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))	BDBM50280743 (CHEMBL4160009) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)\C=C\c3ccccc3)OC2=O)c2ccccc12 Show InChI InChI=1S/C25H23NO5/c1-26-15-20(21-9-5-6-10-22(21)26)13-19-14-25(16-27,31-24(19)29)17-30-23(28)12-11-18-7-3-2-4-8-18/h2-13,15,27H,14,16-17H2,1H3/b12-11+,19-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	439	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))	BDBM50280743 (CHEMBL4160009) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)\C=C\c3ccccc3)OC2=O)c2ccccc12 Show InChI InChI=1S/C25H23NO5/c1-26-15-20(21-9-5-6-10-22(21)26)13-19-14-25(16-27,31-24(19)29)17-30-23(28)12-11-18-7-3-2-4-8-18/h2-13,15,27H,14,16-17H2,1H3/b12-11+,19-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	672	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