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SMILES: CCn1c(SCc2nc3sc(C(O)=O)c(C)c3c(=O)[nH]2)nc2ccccc12

InChI Key: InChIKey=YRNQZHJQWKITFV-UHFFFAOYSA-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 = 50126   
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))		BDBM50126
PNG
(2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-met...)
Show SMILES CCn1c(SCc2nc3sc(C(O)=O)c(C)c3c(=O)[nH]2)nc2ccccc12
Show InChI InChI=1S/C18H16N4O3S2/c1-3-22-11-7-5-4-6-10(11)19-18(22)26-8-12-20-15(23)13-9(2)14(17(24)25)27-16(13)21-12/h4-7H,3,8H2,1-2H3,(H,24,25)(H,20,21,23)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 3.42E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

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