BDBM50122946 CHEMBL334195::Hexanoic acid (5-hydroxymethyl-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-8-yl)-amide::Hexanoic acid [(S)-5-hydroxymethyl-2-((S)-isopropyl)-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-8-yl]-amide

SMILES: CCCCCC(=O)Nc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1

InChI Key: InChIKey=VQHYLMMCTRQCIX-PXNSSMCTSA-N

Data: 2 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 2 hits for monomerid = 50122946   

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
Protein Kinase C, alpha (Bos taurus (bovine))	BDBM50122946 (CHEMBL334195 | Hexanoic acid (5-hydroxymethyl-2-is...) Show SMILES CCCCCC(=O)Nc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1 Show InChI InChI=1S/C21H33N3O3/c1-5-6-7-8-19(26)22-16-9-10-18-15(11-16)12-17(13-25)23-21(27)20(14(2)3)24(18)4/h9-11,14,17,20,25H,5-8,12-13H2,1-4H3,(H,22,26)(H,23,27)/t17-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]				J Med Chem 46: 4196-204 (2003) Article DOI: 10.1021/jm0302041 BindingDB Entry DOI: 10.7270/Q2GF0SX2
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50122946 (CHEMBL334195 | Hexanoic acid (5-hydroxymethyl-2-is...) Show SMILES CCCCCC(=O)Nc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1 Show InChI InChI=1S/C21H33N3O3/c1-5-6-7-8-19(26)22-16-9-10-18-15(11-16)12-17(13-25)23-21(27)20(14(2)3)24(18)4/h9-11,14,17,20,25H,5-8,12-13H2,1-4H3,(H,22,26)(H,23,27)/t17-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine				J Med Chem 46: 364-73 (2003) Article DOI: 10.1021/jm020350r BindingDB Entry DOI: 10.7270/Q20864P8
					More data for this Ligand-Target Pair