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BDBM241975 Clindamycin phosphate

SMILES: CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=UFUVLHLTWXBHGZ-MGZQPHGTSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 241975   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM241975
PNG
(Clindamycin phosphate)
Show SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
3.58E+7n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...


J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM241975
PNG
(Clindamycin phosphate)
Show SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10E+6n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged TDP1 expressed in Escherichia coli BL21 using [32P]-D14Y duplex DNA as substrate incubated for 20 mins by P...


Bioorg Med Chem 24: 5017-5027 (2016)


Article DOI: 10.1016/j.bmc.2016.09.045
More data for this
Ligand-Target Pair