BDBM50280764 CHEMBL4171253

SMILES: COc1ccc2n(C)cc(\C=C3/CC(CO)(COC(=O)C(C)(C)C)OC3=O)c2c1

InChI Key: InChIKey=NPSIUNUHCPZEFG-RIYZIHGNSA-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 = 50280764   

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))	BDBM50280764 (CHEMBL4171253) Show SMILES COc1ccc2n(C)cc(\C=C3/CC(CO)(COC(=O)C(C)(C)C)OC3=O)c2c1 Show InChI InChI=1S/C22H27NO6/c1-21(2,3)20(26)28-13-22(12-24)10-14(19(25)29-22)8-15-11-23(4)18-7-6-16(27-5)9-17(15)18/h6-9,11,24H,10,12-13H2,1-5H3/b14-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	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))	BDBM50280764 (CHEMBL4171253) Show SMILES COc1ccc2n(C)cc(\C=C3/CC(CO)(COC(=O)C(C)(C)C)OC3=O)c2c1 Show InChI InChI=1S/C22H27NO6/c1-21(2,3)20(26)28-13-22(12-24)10-14(19(25)29-22)8-15-11-23(4)18-7-6-16(27-5)9-17(15)18/h6-9,11,24H,10,12-13H2,1-5H3/b14-8+	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	208	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))	BDBM50280764 (CHEMBL4171253) Show SMILES COc1ccc2n(C)cc(\C=C3/CC(CO)(COC(=O)C(C)(C)C)OC3=O)c2c1 Show InChI InChI=1S/C22H27NO6/c1-21(2,3)20(26)28-13-22(12-24)10-14(19(25)29-22)8-15-11-23(4)18-7-6-16(27-5)9-17(15)18/h6-9,11,24H,10,12-13H2,1-5H3/b14-8+	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	249	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