BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptophan 2,3-dioxygenase' and Ligand = 'BDBM347034'   
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
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))		BDBM347034
PNG
(US10202388, Compound 45A-1)
Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](NS(=O)(=O)Cc1ccccc1)C(C3)C2 |r,wD:22.26,1.0,TLB:19:20:36:17.35.18,19:18:36:22.20.21,1:16:22:35.19.18,THB:17:16:22:35.19.18,17:18:22:16.36.21,23:22:36:17.35.18,(-2.55,-8.1,;-2.55,-6.56,;-3.89,-5.79,;-5.22,-6.56,;-6.37,-5.53,;-7.7,-6.3,;-9.03,-5.53,;-9.03,-3.99,;-7.7,-3.22,;-6.37,-3.99,;-5.03,-3.22,;-7.38,-7.81,;-8.01,-9.21,;-6.86,-10.24,;-5.53,-9.47,;-5.85,-7.97,;-1.22,-5.79,;-1.22,-4.25,;-.13,-3.16,;1.66,-3.49,;1.66,-5.03,;.32,-5.79,;2.75,-6.12,;4.08,-6.89,;5.17,-5.8,;4.08,-4.71,;6.26,-4.71,;6.66,-6.2,;7.75,-5.11,;9.23,-5.51,;10.32,-4.42,;9.92,-2.93,;8.44,-2.53,;7.35,-3.62,;1.21,-6.12,;1.21,-4.58,;-.13,-6.88,)|
Show InChI InChI=1S/C29H32FN3O3S/c30-23-8-4-7-22-25-15-31-17-33(25)24(27(22)23)11-26(34)29-12-19-9-20(13-29)28(21(10-19)14-29)32-37(35,36)16-18-5-2-1-3-6-18/h1-8,15,17,19-21,24,26,28,32,34H,9-14,16H2/t19?,20?,21?,24?,26-,28-,29?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



SHANGHAI DE NOVO PHARMATECH CO., LTD.

US Patent


Assay Description
The TDO2 enzymatic assay was performed by UV absorption using a recombinant TDO2 and L-Tryptophan substrate. The UV absorption signal at 321 nm is co...

US Patent US10202388 (2019)


BindingDB Entry DOI: 10.7270/Q2JD4ZXX
More data for this
Ligand-Target Pair