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SMILES: Cc1cc(C)c2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1

InChI Key: InChIKey=YKOYSUKCYDKJDN-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 3 hits for monomerid = 78669   
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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78669
PNG
(1-[(2-keto-5,7-dimethyl-indol-3-yl)amino]-3-(tetra...)
Show SMILES Cc1cc(C)c2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1 |c:21,t:5|
Show InChI InChI=1S/C16H20N4O2S/c1-9-6-10(2)13-12(7-9)14(15(21)18-13)19-20-16(23)17-8-11-4-3-5-22-11/h6-7,11H,3-5,8H2,1-2H3,(H2,17,20,23)(H,18,19,21)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.02E+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, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78669
PNG
(1-[(2-keto-5,7-dimethyl-indol-3-yl)amino]-3-(tetra...)
Show SMILES Cc1cc(C)c2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1 |c:21,t:5|
Show InChI InChI=1S/C16H20N4O2S/c1-9-6-10(2)13-12(7-9)14(15(21)18-13)19-20-16(23)17-8-11-4-3-5-22-11/h6-7,11H,3-5,8H2,1-2H3,(H2,17,20,23)(H,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 509n/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, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM78669
PNG
(1-[(2-keto-5,7-dimethyl-indol-3-yl)amino]-3-(tetra...)
Show SMILES Cc1cc(C)c2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1 |c:21,t:5|
Show InChI InChI=1S/C16H20N4O2S/c1-9-6-10(2)13-12(7-9)14(15(21)18-13)19-20-16(23)17-8-11-4-3-5-22-11/h6-7,11H,3-5,8H2,1-2H3,(H2,17,20,23)(H,18,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+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, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair