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SMILES: OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C/c2ccc(o2)-c2cccc(c2)N=[N+]=[N-])C1=O)C(F)(F)F

InChI Key: InChIKey=VCSVVNFGURGPNF-MHWRWJLKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50505176   
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
ERO1-like protein alpha


(Homo sapiens (Human))		BDBM50505176
PNG
(CHEMBL4589116)
Show SMILES OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C/c2ccc(o2)-c2cccc(c2)N=[N+]=[N-])C1=O)C(F)(F)F |c:12|
Show InChI InChI=1S/C22H11ClF3N5O4/c23-17-6-4-13(9-15(17)21(33)34)31-20(32)16(19(29-31)22(24,25)26)10-14-5-7-18(35-14)11-2-1-3-12(8-11)28-30-27/h1-10H,(H,33,34)/b16-10+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Ero1Lalpha C104A/C131A/C166A triple mutant (22 to 468 residues) expressed in Escherichia coli BL21(DE3)-RIL measured ...

Bioorg Med Chem 27: 1479-1488 (2019)


Article DOI: 10.1016/j.bmc.2019.02.016
BindingDB Entry DOI: 10.7270/Q2571G9S
More data for this
Ligand-Target Pair