BindingDB logo
myBDB logout

null

SMILES: OC[C@H](O)C(=O)NCCSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O

InChI Key: InChIKey=DUMGFWALZMTGCS-RYUDHWBXSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 494822   
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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494822
PNG
((2S)-N-{2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa...)
Show SMILES OC[C@H](O)C(=O)NCCSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C16H18FN5O5S/c17-9-2-1-8-5-11(10(8)6-9)19-14(20-26)13-16(22-27-21-13)28-4-3-18-15(25)12(24)7-23/h1-2,6,11-12,23-24,26H,3-5,7H2,(H,18,25)(H,19,20)/t11-,12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair