BDBM50280770 CHEMBL4170226

SMILES: Cn1cc(\C=C\C(=O)OCC2(CO)C\C(=C/c3cn(C)c4ccccc34)C(=O)O2)c2ccccc12

InChI Key: InChIKey=FVNQTIFQMVXLGJ-IUTFFREVSA-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 = 50280770   

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))	BDBM50280770 (CHEMBL4170226) Show SMILES Cn1cc(\C=C\C(=O)OCC2(CO)C\C(=C/c3cn(C)c4ccccc34)C(=O)O2)c2ccccc12 Show InChI InChI=1S/C28H26N2O5/c1-29-15-19(22-7-3-5-9-24(22)29)11-12-26(32)34-18-28(17-31)14-20(27(33)35-28)13-21-16-30(2)25-10-6-4-8-23(21)25/h3-13,15-16,31H,14,17-18H2,1-2H3/b12-11+,20-13+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	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))	BDBM50280770 (CHEMBL4170226) Show SMILES Cn1cc(\C=C\C(=O)OCC2(CO)C\C(=C/c3cn(C)c4ccccc34)C(=O)O2)c2ccccc12 Show InChI InChI=1S/C28H26N2O5/c1-29-15-19(22-7-3-5-9-24(22)29)11-12-26(32)34-18-28(17-31)14-20(27(33)35-28)13-21-16-30(2)25-10-6-4-8-23(21)25/h3-13,15-16,31H,14,17-18H2,1-2H3/b12-11+,20-13+	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	375	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))	BDBM50280770 (CHEMBL4170226) Show SMILES Cn1cc(\C=C\C(=O)OCC2(CO)C\C(=C/c3cn(C)c4ccccc34)C(=O)O2)c2ccccc12 Show InChI InChI=1S/C28H26N2O5/c1-29-15-19(22-7-3-5-9-24(22)29)11-12-26(32)34-18-28(17-31)14-20(27(33)35-28)13-21-16-30(2)25-10-6-4-8-23(21)25/h3-13,15-16,31H,14,17-18H2,1-2H3/b12-11+,20-13+	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	780	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