BDBM11817 (3R,4R)-N-{4-[4-(5-dimethylamino-2-hydroxybenzoyl)benzoylamino]azepan-3-yl}isonicotinamide hydrochloride::N-[(3R,4R)-4-[(4-{[5-(dimethylamino)-2-hydroxyphenyl]carbonyl}benzene)amido]azepan-3-yl]pyridine-4-carboxamide hydrochloride::Protein Kinase B-Selective Inhibitor 1

SMILES: CN(C)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1

InChI Key: InChIKey=NYQLXXDGJNYPPH-DNQXCXABSA-N

Data: 2 IC50

PDB links: 2 PDB IDs match this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 11817   

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
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM11817 ((3R,4R)-N-{4-[4-(5-dimethylamino-2-hydroxybenzoyl)...) Show SMILES CN(C)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C28H31N5O4/c1-33(2)21-9-10-25(34)22(16-21)26(35)18-5-7-19(8-6-18)27(36)31-23-4-3-13-30-17-24(23)32-28(37)20-11-14-29-15-12-20/h5-12,14-16,23-24,30,34H,3-4,13,17H2,1-2H3,(H,31,36)(H,32,37)/t23-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.2	22
Max-Planck-Institut fuer Biochemie					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11817 ((3R,4R)-N-{4-[4-(5-dimethylamino-2-hydroxybenzoyl)...) Show SMILES CN(C)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C28H31N5O4/c1-33(2)21-9-10-25(34)22(16-21)26(35)18-5-7-19(8-6-18)27(36)31-23-4-3-13-30-17-24(23)32-28(37)20-11-14-29-15-12-20/h5-12,14-16,23-24,30,34H,3-4,13,17H2,1-2H3,(H,31,36)(H,32,37)/t23-,24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	22
Max-Planck-Institut fuer Biochemie					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair