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BDBM89915 (6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl) N,N-diethylcarbamodithioate::(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) N,N-diethylcarbamodithioate::Diethyl-dithiocarbamic acid 6-chloro-2-oxo-4-phenyl-1,2-dihydro-quinolin-3-yl ester::MLS000551566::N,N-diethylcarbamodithioic acid (6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl) ester::N,N-diethylcarbamodithioic acid (6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) ester::SMR000145491::US9695179, 122::cid_1616439

SMILES: CCN(CC)C(=S)Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

InChI Key: InChIKey=JATKKVINBHBUSH-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 89915   
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
Bromodomain-containing protein 4 [342-460]/[42-168]


(Homo sapiens (Human))
BDBM89915
PNG
((6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-...)
Show SMILES CCN(CC)C(=S)Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C20H19ClN2OS2/c1-3-23(4-2)20(25)26-18-17(13-8-6-5-7-9-13)15-12-14(21)10-11-16(15)22-19(18)24/h5-12H,3-4H2,1-2H3,(H,22,24)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.68E+4n/an/an/an/an/a25



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


US Patent US9695179 (2017)


BindingDB Entry DOI: 10.7270/Q21G0JF6
More data for this
Ligand-Target Pair
Corticotropin-releasing factor-binding protein


(Homo sapiens (Human))
BDBM89915
PNG
((6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-...)
Show SMILES CCN(CC)C(=S)Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C20H19ClN2OS2/c1-3-23(4-2)20(25)26-18-17(13-8-6-5-7-9-13)15-12-14(21)10-11-16(15)22-19(18)24/h5-12H,3-4H2,1-2H3,(H,22,24)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>5.30E+4n/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, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair