BindingDB logo
myBDB logout

BDBM50367074 CHEMBL608645

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

InChI Key: InChIKey=JJAVQSCPFVPNLA-NVONZOAYSA-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 = 50367074   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Adenylate kinase 4


(Homo sapiens)
BDBM50367074
PNG
(CHEMBL608645)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)n1cnc2c(NCCCCCNC(=O)CI)ncnc12
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)/t10-,13-,14-,17?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.80E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Escherichia coli adenylate kinase III, activity expressed as Inhibition constant; Non competitive inhibition


Citation and Details
More data for this
Ligand-Target Pair
Adenylate kinase 3 alpha like 1


(Rattus norvegicus)
BDBM50367074
PNG
(CHEMBL608645)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)n1cnc2c(NCCCCCNC(=O)CI)ncnc12
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)/t10-,13-,14-,17?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant; Competitive inhibition


Citation and Details
More data for this
Ligand-Target Pair