BDBM50280750 CHEMBL4160361

SMILES: CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1

InChI Key: InChIKey=NMMBOAVVJDOKHT-MDWZMJQESA-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 = 50280750   

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))	BDBM50280750 (CHEMBL4160361) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C18H21ClO5/c1-17(2,3)16(22)23-11-18(10-20)9-13(15(21)24-18)8-12-4-6-14(19)7-5-12/h4-8,20H,9-11H2,1-3H3/b13-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.530	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))	BDBM50280750 (CHEMBL4160361) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C18H21ClO5/c1-17(2,3)16(22)23-11-18(10-20)9-13(15(21)24-18)8-12-4-6-14(19)7-5-12/h4-8,20H,9-11H2,1-3H3/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	2.60	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))	BDBM50280750 (CHEMBL4160361) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C18H21ClO5/c1-17(2,3)16(22)23-11-18(10-20)9-13(15(21)24-18)8-12-4-6-14(19)7-5-12/h4-8,20H,9-11H2,1-3H3/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	14	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