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SMILES: CCc1ccc2c(c1)cc(CN(C1CC1)C(=S)Nc1ccc(Cl)cc1)c1nnnn21

InChI Key: InChIKey=MYKCPMBAMOEMBY-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 = 43044   
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
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM43044
PNG
(3-(4-Chloro-phenyl)-1-cyclopropyl-1-(7-ethyl-1,2,3...)
Show SMILES CCc1ccc2c(c1)cc(CN(C1CC1)C(=S)Nc1ccc(Cl)cc1)c1nnnn21
Show InChI InChI=1S/C22H21ClN6S/c1-2-14-3-10-20-15(11-14)12-16(21-25-26-27-29(20)21)13-28(19-8-9-19)22(30)24-18-6-4-17(23)5-7-18/h3-7,10-12,19H,2,8-9,13H2,1H3,(H,24,30)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.15E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))
BDBM43044
PNG
(3-(4-Chloro-phenyl)-1-cyclopropyl-1-(7-ethyl-1,2,3...)
Show SMILES CCc1ccc2c(c1)cc(CN(C1CC1)C(=S)Nc1ccc(Cl)cc1)c1nnnn21
Show InChI InChI=1S/C22H21ClN6S/c1-2-14-3-10-20-15(11-14)12-16(21-25-26-27-29(20)21)13-28(19-8-9-19)22(30)24-18-6-4-17(23)5-7-18/h3-7,10-12,19H,2,8-9,13H2,1H3,(H,24,30)
KEGG

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PC sid
UniChem
PCBioAssay
n/an/an/an/a 8.90E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM43044
PNG
(3-(4-Chloro-phenyl)-1-cyclopropyl-1-(7-ethyl-1,2,3...)
Show SMILES CCc1ccc2c(c1)cc(CN(C1CC1)C(=S)Nc1ccc(Cl)cc1)c1nnnn21
Show InChI InChI=1S/C22H21ClN6S/c1-2-14-3-10-20-15(11-14)12-16(21-25-26-27-29(20)21)13-28(19-8-9-19)22(30)24-18-6-4-17(23)5-7-18/h3-7,10-12,19H,2,8-9,13H2,1H3,(H,24,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.16E+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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair