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BDBM114661 2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole::MLS001018504::SMR000354752::cid_2327752

SMILES: C1Cc2ccccc2CN1C1=Nc2cccc3cccc1c23

InChI Key: InChIKey=BJCHQZQRIBAABW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 114661   
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
Fibrinogen beta chain [164-491]


(Homo sapiens (Human))
BDBM114661
PNG
(2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole...)
Show SMILES C1Cc2ccccc2CN1C1=Nc2cccc3cccc1c23 |t:12|
Show InChI InChI=1S/C20H16N2/c1-2-6-16-13-22(12-11-14(16)5-1)20-17-9-3-7-15-8-4-10-18(21-20)19(15)17/h1-10H,11-13H2
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.33E+4n/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 (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2R49PFB
More data for this
Ligand-Target Pair
Fibrinogen beta chain [164-491]


(Homo sapiens (Human))
BDBM114661
PNG
(2-(3,4-dihydro-1H-isoquinolin-2-yl)benzo[cd]indole...)
Show SMILES C1Cc2ccccc2CN1C1=Nc2cccc3cccc1c23 |t:12|
Show InChI InChI=1S/C20H16N2/c1-2-6-16-13-22(12-11-14(16)5-1)20-17-9-3-7-15-8-4-10-18(21-20)19(15)17/h1-10H,11-13H2
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.61E+4n/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 (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F59
More data for this
Ligand-Target Pair