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BDBM41646 MLS000098950::N-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)acetamide::N-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethanamide::SMR000063853::cid_2125826

SMILES: O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1

InChI Key: InChIKey=ZTYQBGRPXUUDOE-UHFFFAOYSA-N

Data: 1 IC50  4 EC50

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 5 hits for monomerid = 41646   
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
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM41646
PNG
(MLS000098950 | N-(1H-benzimidazol-2-yl)-2-(1H-indo...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H14N4O/c22-16(9-11-10-18-13-6-2-1-5-12(11)13)21-17-19-14-7-3-4-8-15(14)20-17/h1-8,10,18H,9H2,(H2,19,20,21,22)
NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26D5RD0
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM41646
PNG
(MLS000098950 | N-(1H-benzimidazol-2-yl)-2-(1H-indo...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H14N4O/c22-16(9-11-10-18-13-6-2-1-5-12(11)13)21-17-19-14-7-3-4-8-15(14)20-17/h1-8,10,18H,9H2,(H2,19,20,21,22)
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM41646
PNG
(MLS000098950 | N-(1H-benzimidazol-2-yl)-2-(1H-indo...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H14N4O/c22-16(9-11-10-18-13-6-2-1-5-12(11)13)21-17-19-14-7-3-4-8-15(14)20-17/h1-8,10,18H,9H2,(H2,19,20,21,22)
UniProtKB/SwissProt

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UniChem
PCBioAssay
n/an/an/an/a 6.91E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM41646
PNG
(MLS000098950 | N-(1H-benzimidazol-2-yl)-2-(1H-indo...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H14N4O/c22-16(9-11-10-18-13-6-2-1-5-12(11)13)21-17-19-14-7-3-4-8-15(14)20-17/h1-8,10,18H,9H2,(H2,19,20,21,22)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM41646
PNG
(MLS000098950 | N-(1H-benzimidazol-2-yl)-2-(1H-indo...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H14N4O/c22-16(9-11-10-18-13-6-2-1-5-12(11)13)21-17-19-14-7-3-4-8-15(14)20-17/h1-8,10,18H,9H2,(H2,19,20,21,22)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2902257
More data for this
Ligand-Target Pair