BDBM50133245 CHEMBL134690::Octanedioic acid ((1S,6S)-5-hydroxymethyl-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-8-yl)-amide ((S)-5-hydroxymethyl-2-isopropyl-1-(S)-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-9-yl)-amide

SMILES: CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O

InChI Key: InChIKey=QQBWSORAVMNVHR-ACZARZSMSA-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 = 50133245   

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 delta (Mus musculus)	BDBM50133245 (CHEMBL134690 | Octanedioic acid ((1S,6S)-5-hydroxy...) Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C38H56N6O6/c1-23(2)35-37(49)42-30(22-46)19-26-18-27(15-16-31(26)43(35)5)39-33(47)11-9-7-8-10-12-34(48)40-28-14-13-25-17-29(21-45)41-38(50)36(24(3)4)44(6)32(25)20-28/h13-16,18,20,23-24,29-30,35-36,45-46H,7-12,17,19,21-22H2,1-6H3,(H,39,47)(H,40,48)(H,41,50)(H,42,49)/t29-,30-,35-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Georgetown University Medical Center Curated by ChEMBL					Assay Description Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...				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 delta (Mus musculus)	BDBM50133245 (CHEMBL134690 | Octanedioic acid ((1S,6S)-5-hydroxy...) Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C38H56N6O6/c1-23(2)35-37(49)42-30(22-46)19-26-18-27(15-16-31(26)43(35)5)39-33(47)11-9-7-8-10-12-34(48)40-28-14-13-25-17-29(21-45)41-38(50)36(24(3)4)44(6)32(25)20-28/h13-16,18,20,23-24,29-30,35-36,45-46H,7-12,17,19,21-22H2,1-6H3,(H,39,47)(H,40,48)(H,41,50)(H,42,49)/t29-,30-,35-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	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 murine Protein kinase C delta 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 (Bos taurus (bovine))	BDBM50133245 (CHEMBL134690 | Octanedioic acid ((1S,6S)-5-hydroxy...) Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C38H56N6O6/c1-23(2)35-37(49)42-30(22-46)19-26-18-27(15-16-31(26)43(35)5)39-33(47)11-9-7-8-10-12-34(48)40-28-14-13-25-17-29(21-45)41-38(50)36(24(3)4)44(6)32(25)20-28/h13-16,18,20,23-24,29-30,35-36,45-46H,7-12,17,19,21-22H2,1-6H3,(H,39,47)(H,40,48)(H,41,50)(H,42,49)/t29-,30-,35-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	558	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