BDBM50367073 CHEMBL3350528::CHEMBL609819

SMILES: CN(CCCCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCNC(=O)CI

InChI Key: InChIKey=USGQSXRZQMBGKQ-LDEFLUHMSA-N

Data: 2 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 2 hits for monomerid = 50367073   

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 2 (Rattus norvegicus)	BDBM50367073 (CHEMBL3350528 | CHEMBL609819) Show SMILES CN(CCCCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCNC(=O)CI |r| Show InChI InChI=1S/C26H45IN7O15P3/c1-32(20(36)10-6-5-7-11-28-19(35)14-27)12-8-3-4-9-13-33(2)24-21-25(30-16-29-24)34(17-31-21)26-23(38)22(37)18(47-26)15-46-51(42,43)49-52(44,45)48-50(39,40)41/h16-18,22-23,26,37-38H,3-15H2,1-2H3,(H,28,35)(H,42,43)(H,44,45)(H2,39,40,41)/t18-,22-,23-,26?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair
Adenylate kinase 3 alpha like 1 (Rattus norvegicus)	BDBM50367073 (CHEMBL3350528 | CHEMBL609819) Show SMILES CN(CCCCCCN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)CCCCCNC(=O)CI |r| Show InChI InChI=1S/C26H45IN7O15P3/c1-32(20(36)10-6-5-7-11-28-19(35)14-27)12-8-3-4-9-13-33(2)24-21-25(30-16-29-24)34(17-31-21)26-23(38)22(37)18(47-26)15-46-51(42,43)49-52(44,45)48-50(39,40)41/h16-18,22-23,26,37-38H,3-15H2,1-2H3,(H,28,35)(H,42,43)(H,44,45)(H2,39,40,41)/t18-,22-,23-,26?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant; Competitive inhibition				J Med Chem 25: 382-6 (1982) BindingDB Entry DOI: 10.7270/Q24F1R9V
					More data for this Ligand-Target Pair