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SMILES: CC(SCc1nc2sc3CCCCc3c2c(=O)[nH]1)C(=O)Nc1ccc(C)cn1

InChI Key: InChIKey=ITLSBPKECBERDE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 88992   
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
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))		BDBM88992
PNG
(2-[(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,...)
Show SMILES CC(SCc1nc2sc3CCCCc3c2c(=O)[nH]1)C(=O)Nc1ccc(C)cn1
Show InChI InChI=1S/C20H22N4O2S2/c1-11-7-8-15(21-9-11)22-18(25)12(2)27-10-16-23-19(26)17-13-5-3-4-6-14(13)28-20(17)24-16/h7-9,12H,3-6,10H2,1-2H3,(H,21,22,25)(H,23,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 2.19E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...

PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM88992
PNG
(2-[(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,...)
Show SMILES CC(SCc1nc2sc3CCCCc3c2c(=O)[nH]1)C(=O)Nc1ccc(C)cn1
Show InChI InChI=1S/C20H22N4O2S2/c1-11-7-8-15(21-9-11)22-18(25)12(2)27-10-16-23-19(26)17-13-5-3-4-6-14(13)28-20(17)24-16/h7-9,12H,3-6,10H2,1-2H3,(H,21,22,25)(H,23,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 1.72E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...

PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair