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BDBM83887 2-(4-Chloro-phenyl)-6,7,8,9-tetrahydro-benzo[e]imidazo[1,2-b][1,2,4]triazine::2-(4-chlorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine::MLS000554659::SMR000146776::cid_625142

SMILES: Clc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1

InChI Key: InChIKey=KCJMHBCZSPFWRU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 83887   
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
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM83887
PNG
(2-(4-Chloro-phenyl)-6,7,8,9-tetrahydro-benzo[e]imi...)
Show SMILES Clc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1
Show InChI InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)14-9-20-15(18-14)17-12-3-1-2-4-13(12)19-20/h5-9H,1-4H2
PDB
MMDB

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PCBioAssay
n/an/a 1.75E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
protein artemis isoform a


(Homo sapiens (Human))
BDBM83887
PNG
(2-(4-Chloro-phenyl)-6,7,8,9-tetrahydro-benzo[e]imi...)
Show SMILES Clc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1
Show InChI InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)14-9-20-15(18-14)17-12-3-1-2-4-13(12)19-20/h5-9H,1-4H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem

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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 (2013)


BindingDB Entry DOI: 10.7270/Q2MC8XP5
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM83887
PNG
(2-(4-Chloro-phenyl)-6,7,8,9-tetrahydro-benzo[e]imi...)
Show SMILES Clc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1
Show InChI InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)14-9-20-15(18-14)17-12-3-1-2-4-13(12)19-20/h5-9H,1-4H2
PDB
MMDB

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PCBioAssay
n/an/a 7.87E+3n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM83887
PNG
(2-(4-Chloro-phenyl)-6,7,8,9-tetrahydro-benzo[e]imi...)
Show SMILES Clc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1
Show InChI InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)14-9-20-15(18-14)17-12-3-1-2-4-13(12)19-20/h5-9H,1-4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair