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BDBM50451 1-(4-Chloro-phenyl)-3-[5-((E)-styryl)-[1,3,4]thiadiazol-2-yl]-urea::1-(4-chlorophenyl)-3-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]urea::1-(4-chlorophenyl)-3-[5-[(E)-styryl]-1,3,4-thiadiazol-2-yl]urea::MLS000591688::SMR000218637::cid_5885398

SMILES: Clc1ccc(NC(=O)Nc2nnc(\C=C\c3ccccc3)s2)cc1

InChI Key: InChIKey=ZXXPCZJLWGPCBK-IZZDOVSWSA-N

Data: 1 IC50

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 = 50451   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50451
PNG
(1-(4-Chloro-phenyl)-3-[5-((E)-styryl)-[1,3,4]thiad...)
Show SMILES Clc1ccc(NC(=O)Nc2nnc(\C=C\c3ccccc3)s2)cc1
Show InChI InChI=1S/C17H13ClN4OS/c18-13-7-9-14(10-8-13)19-16(23)20-17-22-21-15(24-17)11-6-12-4-2-1-3-5-12/h1-11H,(H2,19,20,22,23)/b11-6+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.89E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair