BDBM50280752 CHEMBL4161221

SMILES: Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCC(CC3)C(C)(C)C)OC2=O)c2ccccc12

InChI Key: InChIKey=KDOMXVVBKAYVDL-CPNJWEJPSA-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 = 50280752   

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))	BDBM50280752 (CHEMBL4161221) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCC(CC3)C(C)(C)C)OC2=O)c2ccccc12 |(33.76,-11.61,;33.34,-10.13,;34.29,-8.91,;33.42,-7.64,;34.21,-6.31,;33.45,-4.98,;31.91,-4.98,;31.43,-3.51,;30.09,-4.27,;30.08,-5.81,;30.1,-2.73,;28.76,-3.49,;27.43,-2.71,;27.44,-1.17,;26.09,-3.48,;24.75,-2.69,;23.41,-3.45,;23.4,-5,;24.73,-5.78,;26.08,-5.02,;22.06,-5.75,;20.74,-4.98,;22.05,-7.29,;20.73,-6.51,;32.68,-2.6,;33.93,-3.51,;35.39,-3.04,;31.95,-8.07,;30.66,-7.25,;29.3,-7.97,;29.25,-9.51,;30.54,-10.31,;31.89,-9.6,)| Show InChI InChI=1S/C27H35NO5/c1-26(2,3)21-11-9-18(10-12-21)24(30)32-17-27(16-29)14-19(25(31)33-27)13-20-15-28(4)23-8-6-5-7-22(20)23/h5-8,13,15,18,21,29H,9-12,14,16-17H2,1-4H3/b19-13+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	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))	BDBM50280752 (CHEMBL4161221) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCC(CC3)C(C)(C)C)OC2=O)c2ccccc12 |(33.76,-11.61,;33.34,-10.13,;34.29,-8.91,;33.42,-7.64,;34.21,-6.31,;33.45,-4.98,;31.91,-4.98,;31.43,-3.51,;30.09,-4.27,;30.08,-5.81,;30.1,-2.73,;28.76,-3.49,;27.43,-2.71,;27.44,-1.17,;26.09,-3.48,;24.75,-2.69,;23.41,-3.45,;23.4,-5,;24.73,-5.78,;26.08,-5.02,;22.06,-5.75,;20.74,-4.98,;22.05,-7.29,;20.73,-6.51,;32.68,-2.6,;33.93,-3.51,;35.39,-3.04,;31.95,-8.07,;30.66,-7.25,;29.3,-7.97,;29.25,-9.51,;30.54,-10.31,;31.89,-9.6,)| Show InChI InChI=1S/C27H35NO5/c1-26(2,3)21-11-9-18(10-12-21)24(30)32-17-27(16-29)14-19(25(31)33-27)13-20-15-28(4)23-8-6-5-7-22(20)23/h5-8,13,15,18,21,29H,9-12,14,16-17H2,1-4H3/b19-13+	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	31	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))	BDBM50280752 (CHEMBL4161221) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCC(CC3)C(C)(C)C)OC2=O)c2ccccc12 |(33.76,-11.61,;33.34,-10.13,;34.29,-8.91,;33.42,-7.64,;34.21,-6.31,;33.45,-4.98,;31.91,-4.98,;31.43,-3.51,;30.09,-4.27,;30.08,-5.81,;30.1,-2.73,;28.76,-3.49,;27.43,-2.71,;27.44,-1.17,;26.09,-3.48,;24.75,-2.69,;23.41,-3.45,;23.4,-5,;24.73,-5.78,;26.08,-5.02,;22.06,-5.75,;20.74,-4.98,;22.05,-7.29,;20.73,-6.51,;32.68,-2.6,;33.93,-3.51,;35.39,-3.04,;31.95,-8.07,;30.66,-7.25,;29.3,-7.97,;29.25,-9.51,;30.54,-10.31,;31.89,-9.6,)| Show InChI InChI=1S/C27H35NO5/c1-26(2,3)21-11-9-18(10-12-21)24(30)32-17-27(16-29)14-19(25(31)33-27)13-20-15-28(4)23-8-6-5-7-22(20)23/h5-8,13,15,18,21,29H,9-12,14,16-17H2,1-4H3/b19-13+	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	42	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