BDBM50280760 CHEMBL4168968

SMILES: Cn1cc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)c2ccccc12

InChI Key: InChIKey=XBKUBIGECMBITH-MHWRWJLKSA-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 = 50280760   

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))	BDBM50280760 (CHEMBL4168968) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)c2ccccc12 Show InChI InChI=1S/C23H20ClNO5/c1-25-12-17(19-4-2-3-5-20(19)25)10-16-11-23(13-26,30-22(16)28)14-29-21(27)15-6-8-18(24)9-7-15/h2-10,12,26H,11,13-14H2,1H3/b16-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11	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))	BDBM50280760 (CHEMBL4168968) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)c2ccccc12 Show InChI InChI=1S/C23H20ClNO5/c1-25-12-17(19-4-2-3-5-20(19)25)10-16-11-23(13-26,30-22(16)28)14-29-21(27)15-6-8-18(24)9-7-15/h2-10,12,26H,11,13-14H2,1H3/b16-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	146	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))	BDBM50280760 (CHEMBL4168968) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)c2ccccc12 Show InChI InChI=1S/C23H20ClNO5/c1-25-12-17(19-4-2-3-5-20(19)25)10-16-11-23(13-26,30-22(16)28)14-29-21(27)15-6-8-18(24)9-7-15/h2-10,12,26H,11,13-14H2,1H3/b16-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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