BDBM27223 6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]formamido}hexanamide::ARC-1031, 3

SMILES: NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=OXBCCGHEGGYYRL-MEQWQQMJSA-N

Data: 2 IC50  2 Kd

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 4 hits for monomerid = 27223   

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) (Mus musculus (mouse))	BDBM27223 (6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...) Show SMILES NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H23N7O5/c17-8(24)4-2-1-3-5-19-15(27)12-10(25)11(26)16(28-12)23-7-22-9-13(18)20-6-21-14(9)23/h6-7,10-12,16,25-26H,1-5H2,(H2,17,24)(H,19,27)(H2,18,20,21)/t10-,11+,12-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.18E+3	n/a	n/a	n/a	7.5	30
Institute of Chemistry in Estonia					Assay Description The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...				J Med Chem 52: 308-21 (2009) Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM27223 (6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...) Show SMILES NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H23N7O5/c17-8(24)4-2-1-3-5-19-15(27)12-10(25)11(26)16(28-12)23-7-22-9-13(18)20-6-21-14(9)23/h6-7,10-12,16,25-26H,1-5H2,(H2,17,24)(H,19,27)(H2,18,20,21)/t10-,11+,12-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry in Estonia					Assay Description The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...				J Med Chem 52: 308-21 (2009) Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Mus musculus (mouse))	BDBM27223 (6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...) Show SMILES NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H23N7O5/c17-8(24)4-2-1-3-5-19-15(27)12-10(25)11(26)16(28-12)23-7-22-9-13(18)20-6-21-14(9)23/h6-7,10-12,16,25-26H,1-5H2,(H2,17,24)(H,19,27)(H2,18,20,21)/t10-,11+,12-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry in Estonia					Assay Description The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...				J Med Chem 52: 308-21 (2009) Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM27223 (6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...) Show SMILES NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H23N7O5/c17-8(24)4-2-1-3-5-19-15(27)12-10(25)11(26)16(28-12)23-7-22-9-13(18)20-6-21-14(9)23/h6-7,10-12,16,25-26H,1-5H2,(H2,17,24)(H,19,27)(H2,18,20,21)/t10-,11+,12-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.48E+3	n/a	n/a	n/a	7.5	30
Institute of Chemistry in Estonia					Assay Description The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...				J Med Chem 52: 308-21 (2009) Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ
					More data for this Ligand-Target Pair