BDBM27245 8-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]formamido}hexanamido)-N-[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]octanamide::ARC-1018, 20

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O

InChI Key: InChIKey=XSZSUFHHIDZSQU-SGJHKYHSSA-N

Data: 1 Kd

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 1 hit for monomerid = 27245   

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))	BDBM27245 (8-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r| Show InChI InChI=1S/C36H62N16O8/c37-29-25-31(48-19-47-29)52(20-49-25)34-27(56)26(55)28(60-34)33(59)44-16-8-4-6-13-23(53)43-15-7-3-1-2-5-14-24(54)50-22(12-10-18-46-36(41)42)32(58)51-21(30(38)57)11-9-17-45-35(39)40/h19-22,26-28,34,55-56H,1-18H2,(H2,38,57)(H,43,53)(H,44,59)(H,50,54)(H,51,58)(H2,37,47,48)(H4,39,40,45)(H4,41,42,46)/t21-,22-,26+,27-,28+,34-/m1/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	95.4	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