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BDBM50010316 CHEMBL3251364

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

InChI Key: InChIKey=JJAVQSCPFVPNLA-WPZVWGEYNA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50010316   
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 (Human))
BDBM50010316
PNG
(CHEMBL3251364)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCCCCNC(=O)CI)ncnc12
Show InChI InChI=1/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-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
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


J Med Chem 25: 382-6 (1982)


Article DOI: 10.1021/jm00346a010
BindingDB Entry DOI: 10.7270/Q24F1R9V
More data for this
Ligand-Target Pair
Adenylate kinase 3 alpha like 1


(Rattus norvegicus)
BDBM50010316
PNG
(CHEMBL3251364)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCCCCNC(=O)CI)ncnc12
Show InChI InChI=1/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-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 3 by Lineweaver-Burk plot analysis


J Med Chem 22: 1529-32 (1980)


Article DOI: 10.1021/jm00198a018
BindingDB Entry DOI: 10.7270/Q2JD4Z9V
More data for this
Ligand-Target Pair
Adenylate kinase 3 alpha like 1


(Rattus norvegicus)
BDBM50010316
PNG
(CHEMBL3251364)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCCCCNC(=O)CI)ncnc12
Show InChI InChI=1/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-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
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


J Med Chem 25: 382-6 (1982)


Article DOI: 10.1021/jm00346a010
BindingDB Entry DOI: 10.7270/Q24F1R9V
More data for this
Ligand-Target Pair