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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Signal transducer and activator of transcription 3' and Ligand = 'BDBM50514300'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50514300
PNG
(CHEMBL4567312)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(C)=O)NC(=O)c1cc2cc(CP(O)(O)=O)ccc2[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H46N7O9P/c1-24(48)46-19-18-29-13-16-34(47(29)40(53)33(22-46)44-38(51)32-21-28-20-25(23-57(54,55)56)12-14-30(28)42-32)39(52)43-31(15-17-35(41)49)37(50)45-36(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-12,14,20-21,29,31,33-34,36,42H,13,15-19,22-23H2,1H3,(H2,41,49)(H,43,52)(H,44,51)(H,45,50)(H2,54,55,56)/t29-,31+,33+,34+/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 584n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...

J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
More data for this
Ligand-Target Pair