BDBM11818 (3R,4R)-N-(4-{4-[3-(3,3-dimethylpiperidin-2-yl)-2-fluoro-6-hydroxybenzoyl]benzoylamino}azepan-3-yl)isonicotinamide hydrochloride::N-[(3R,4R)-4-[(4-{[3-(3,3-dimethylpiperidin-2-yl)-2-fluoro-6-hydroxyphenyl]carbonyl}benzene)amido]azepan-3-yl]pyridine-4-carboxamide hydrochloride::Protein Kinase B-Selective Inhibitor 2

SMILES: CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F

InChI Key: InChIKey=LLDRWTNKJQFSDC-KUZPKSQGSA-N

Data: 2 IC50

PDB links: 2 PDB IDs match 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 = 11818   

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))	BDBM11818 ((3R,4R)-N-(4-{4-[3-(3,3-dimethylpiperidin-2-yl)-2-...) Show SMILES CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r| Show InChI InChI=1S/C33H38FN5O4/c1-33(2)14-4-16-37-30(33)23-10-11-26(40)27(28(23)34)29(41)20-6-8-21(9-7-20)31(42)38-24-5-3-15-36-19-25(24)39-32(43)22-12-17-35-18-13-22/h6-13,17-18,24-25,30,36-37,40H,3-5,14-16,19H2,1-2H3,(H,38,42)(H,39,43)/t24-,25-,30?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.40E+3	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))	BDBM11818 ((3R,4R)-N-(4-{4-[3-(3,3-dimethylpiperidin-2-yl)-2-...) Show SMILES CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r| Show InChI InChI=1S/C33H38FN5O4/c1-33(2)14-4-16-37-30(33)23-10-11-26(40)27(28(23)34)29(41)20-6-8-21(9-7-20)31(42)38-24-5-3-15-36-19-25(24)39-32(43)22-12-17-35-18-13-22/h6-13,17-18,24-25,30,36-37,40H,3-5,14-16,19H2,1-2H3,(H,38,42)(H,39,43)/t24-,25-,30?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	750	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