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BDBM50423606 Antirobe::CLINDAMYCIN::Chlorodeoxylincomycin::Chlorolincomycin::Cleocin::Cleocin T::Evoclin::Sobelin::U-21251

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

InChI Key: InChIKey=AXGWQMGSKOZGLA-AWPCGBSGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50423606   
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
protein-arginine deiminase type-4


(Homo sapiens)
BDBM50423606
PNG
(Antirobe | CLINDAMYCIN | Chlorodeoxylincomycin | C...)
Show SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@@]1(C)O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H35ClN2O5S/c1-6-7-11-8-12(22(4)9-11)17(26)21-15(10(2)20)19(3)16(25)13(23)14(24)18(27-19)28-5/h10-16,18,23-25H,6-9H2,1-5H3,(H,21,26)/t10-,11+,12-,13+,14+,15+,16+,18+,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+6n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of PAD4 by ABPP-based assay


Bioorg Med Chem 16: 739-45 (2008)

More data for this
Ligand-Target Pair