BDBM50367040 CHEMBL606017

SMILES: CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2c(SCC)nc3c(N)ncnc23)[C@@H](O)[C@H]1O

InChI Key: InChIKey=FIIGSCDDGQHPGP-MWAAXNIYSA-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 = 50367040   

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)	BDBM50367040 (CHEMBL606017) Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2c(SCC)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H37N10O22P5S2/c1-3-62-23-31-11-17(25)27-7-29-19(11)33(23)21-15(37)13(35)9(51-21)5-49-57(39,40)53-59(43,44)55-61(47,48)56-60(45,46)54-58(41,42)50-6-10-14(36)16(38)22(52-10)34-20-12(18(26)28-8-30-20)32-24(34)63-4-2/h7-10,13-16,21-22,35-38H,3-6H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,25,27,29)(H2,26,28,30)/t9-,10-,13-,14-,15-,16-,21?,22?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, competitive inhibition				J Med Chem 25: 1179-84 (1983) BindingDB Entry DOI: 10.7270/Q25D8SD7
					More data for this Ligand-Target Pair
Adenylate kinase 2 (Rattus norvegicus)	BDBM50367040 (CHEMBL606017) Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2c(SCC)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H37N10O22P5S2/c1-3-62-23-31-11-17(25)27-7-29-19(11)33(23)21-15(37)13(35)9(51-21)5-49-57(39,40)53-59(43,44)55-61(47,48)56-60(45,46)54-58(41,42)50-6-10-14(36)16(38)22(52-10)34-20-12(18(26)28-8-30-20)32-24(34)63-4-2/h7-10,13-16,21-22,35-38H,3-6H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,25,27,29)(H2,26,28,30)/t9-,10-,13-,14-,15-,16-,21?,22?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, competitive inhibition				J Med Chem 25: 1179-84 (1983) BindingDB Entry DOI: 10.7270/Q25D8SD7
					More data for this Ligand-Target Pair