BDBM50133249 CHEMBL133853::Dodecanedioic acid [(S)-5-hydroxymethyl-2-((S)-isopropyl)-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-9-yl]-amide ((2S,5S)-5-hydroxymethyl-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-8-yl)-amide

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

InChI Key: InChIKey=ODGLCPNFDKDAJO-XFEDHCIASA-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 = 50133249   

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)	BDBM50133249 (CHEMBL133853 | Dodecanedioic acid [(S)-5-hydroxyme...) Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCC(=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/C42H64N6O6/c1-27(2)39-41(53)46-34(26-50)23-30-22-31(19-20-35(30)47(39)5)43-37(51)15-13-11-9-7-8-10-12-14-16-38(52)44-32-18-17-29-21-33(25-49)45-42(54)40(28(3)4)48(6)36(29)24-32/h17-20,22,24,27-28,33-34,39-40,49-50H,7-16,21,23,25-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t33-,34-,39-,40-/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	0.480	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)	BDBM50133249 (CHEMBL133853 | Dodecanedioic acid [(S)-5-hydroxyme...) Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCC(=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/C42H64N6O6/c1-27(2)39-41(53)46-34(26-50)23-30-22-31(19-20-35(30)47(39)5)43-37(51)15-13-11-9-7-8-10-12-14-16-38(52)44-32-18-17-29-21-33(25-49)45-42(54)40(28(3)4)48(6)36(29)24-32/h17-20,22,24,27-28,33-34,39-40,49-50H,7-16,21,23,25-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t33-,34-,39-,40-/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	1.30	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))	BDBM50133249 (CHEMBL133853 | Dodecanedioic acid [(S)-5-hydroxyme...) Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCC(=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/C42H64N6O6/c1-27(2)39-41(53)46-34(26-50)23-30-22-31(19-20-35(30)47(39)5)43-37(51)15-13-11-9-7-8-10-12-14-16-38(52)44-32-18-17-29-21-33(25-49)45-42(54)40(28(3)4)48(6)36(29)24-32/h17-20,22,24,27-28,33-34,39-40,49-50H,7-16,21,23,25-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t33-,34-,39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	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