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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50590772'   
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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50590772
PNG
(BMS 986205 | BMS-986205 | Bms-986205 | F 001287 | ...)
Show SMILES C[C@H](C1CCC(CC1)c1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cc1 |r,wD:1.0,(-6.99,-1.78,;-6.99,-.24,;-8.32,.53,;-9.66,-.24,;-10.99,.53,;-10.99,2.07,;-9.66,2.84,;-8.32,2.07,;-12.35,2.8,;-12.35,4.34,;-13.68,5.11,;-15.02,4.34,;-15.02,2.8,;-16.35,2.03,;-16.35,.49,;-15.02,-.28,;-15.01,-1.82,;-13.68,.49,;-13.68,2.03,;-5.66,.53,;-5.66,2.07,;-4.32,-.24,;-2.99,.53,;-2.99,2.07,;-1.66,2.84,;-.32,2.07,;1.05,2.8,;-.32,.53,;-1.66,-.24,)|
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114625
BindingDB Entry DOI: 10.7270/Q2JW8JVD
More data for this
Ligand-Target Pair