BDBM50367045 CHEMBL605010

SMILES: CCC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=HEOCSFHUTISZKL-MWQLDZLRSA-N

Data: 5 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 5 hits for monomerid = 50367045   

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)	BDBM50367045 (CHEMBL605010) Show SMILES CCC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H20N5O7P/c1-2-3-6(25-26(21,22)23)10-8(19)9(20)13(24-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-20H,2-3H2,1H3,(H2,14,15,16)(H2,21,22,23)/t6-,8+,9-,10-,13?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+6	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, non 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)	BDBM50367045 (CHEMBL605010) Show SMILES CCC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H20N5O7P/c1-2-3-6(25-26(21,22)23)10-8(19)9(20)13(24-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-20H,2-3H2,1H3,(H2,14,15,16)(H2,21,22,23)/t6-,8+,9-,10-,13?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibitory constant with Rat adenylate kinase II isozyme				J Med Chem 25: 806-12 (1982) BindingDB Entry DOI: 10.7270/Q2765FWS
					More data for this Ligand-Target Pair
Adenylate kinase 3 alpha like 1 (Rattus norvegicus)	BDBM50367045 (CHEMBL605010) Show SMILES CCC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H20N5O7P/c1-2-3-6(25-26(21,22)23)10-8(19)9(20)13(24-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-20H,2-3H2,1H3,(H2,14,15,16)(H2,21,22,23)/t6-,8+,9-,10-,13?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibitory constant with Rat adenylate kinase III				J Med Chem 25: 806-12 (1982) BindingDB Entry DOI: 10.7270/Q2765FWS
					More data for this Ligand-Target Pair
Adenylate kinase 1 (Rattus norvegicus)	BDBM50367045 (CHEMBL605010) Show SMILES CCC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H20N5O7P/c1-2-3-6(25-26(21,22)23)10-8(19)9(20)13(24-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-20H,2-3H2,1H3,(H2,14,15,16)(H2,21,22,23)/t6-,8+,9-,10-,13?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+6	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 M isoenzyme was determined in the presence of ATP, non competitive inhibition				J Med Chem 25: 1179-84 (1983) BindingDB Entry DOI: 10.7270/Q25D8SD7
					More data for this Ligand-Target Pair
Adenylate kinase 1 (Rattus norvegicus)	BDBM50367045 (CHEMBL605010) Show SMILES CCC[C@@H](OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H20N5O7P/c1-2-3-6(25-26(21,22)23)10-8(19)9(20)13(24-10)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-20H,2-3H2,1H3,(H2,14,15,16)(H2,21,22,23)/t6-,8+,9-,10-,13?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Non-competitive inhibitory constant of compound with Rat adenylate kinase M isozyme				J Med Chem 25: 806-12 (1982) BindingDB Entry DOI: 10.7270/Q2765FWS
					More data for this Ligand-Target Pair