BDBM50367091 CHEMBL1788162

SMILES: O[C@H]1[C@@H](O)C(O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)n1cnc2c(NCCCCCNC(=O)CI)ncnc12

InChI Key: InChIKey=JJAVQSCPFVPNLA-NVONZOAYSA-M

Data: 1 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 1 hit for monomerid = 50367091   

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
Adenylate kinase 3 alpha like 1 (Rattus norvegicus)	BDBM50367091 (CHEMBL1788162) Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)n1cnc2c(NCCCCCNC(=O)CI)ncnc12 |r| Show InChI InChI=1S/C17H28IN6O14P3/c18-6-11(25)19-4-2-1-3-5-20-15-12-16(22-8-21-15)24(9-23-12)17-14(27)13(26)10(36-17)7-35-40(31,32)38-41(33,34)37-39(28,29)30/h8-10,13-14,17,26-27H,1-7H2,(H,19,25)(H,31,32)(H,33,34)(H,20,21,22)(H2,28,29,30)/p-1/t10-,13-,14-,17?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive binding inhibition constant of rat adenylate kinase IIl was determined				J Med Chem 25: 638-44 (1982) BindingDB Entry DOI: 10.7270/Q2MG7Q28
					More data for this Ligand-Target Pair