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BDBM87262 2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2',5-dioxo-1,1',3',4,5,6,7,8-octahydrospiro[quinoline-4,3'-(2'H)-indole]-3-carbonitrile::2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2',5-dioxo-3-spiro[7,8-dihydro-6H-quinoline-4,3'-indole]carbonitrile::2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile::2-amino-1-(3,5-dichlorophenyl)-2',5-diketo-1'-methyl-spiro[7,8-dihydro-6H-quinoline-4,3'-indoline]-3-carbonitrile::2-azanyl-1-[3,5-bis(chloranyl)phenyl]-1'-methyl-2',5-bis(oxidanylidene)spiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile::MLS000545711::SMR000161609::cid_3585893

SMILES: CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CCC3)c2cc(Cl)cc(Cl)c2)c2ccccc12

InChI Key: InChIKey=WQSGSGPRTDUPLB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 87262   
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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87262
PNG
(2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2'...)
Show SMILES CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CCC3)c2cc(Cl)cc(Cl)c2)c2ccccc12 |c:11|
Show InChI InChI=1S/C24H18Cl2N4O2/c1-29-18-6-3-2-5-16(18)24(23(29)32)17(12-27)22(28)30(15-10-13(25)9-14(26)11-15)19-7-4-8-20(31)21(19)24/h2-3,5-6,9-11,17,28H,4,7-8H2,1H3
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.36E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87262
PNG
(2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2'...)
Show SMILES CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CCC3)c2cc(Cl)cc(Cl)c2)c2ccccc12 |c:11|
Show InChI InChI=1S/C24H18Cl2N4O2/c1-29-18-6-3-2-5-16(18)24(23(29)32)17(12-27)22(28)30(15-10-13(25)9-14(26)11-15)19-7-4-8-20(31)21(19)24/h2-3,5-6,9-11,17,28H,4,7-8H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.63E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87262
PNG
(2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2'...)
Show SMILES CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CCC3)c2cc(Cl)cc(Cl)c2)c2ccccc12 |c:11|
Show InChI InChI=1S/C24H18Cl2N4O2/c1-29-18-6-3-2-5-16(18)24(23(29)32)17(12-27)22(28)30(15-10-13(25)9-14(26)11-15)19-7-4-8-20(31)21(19)24/h2-3,5-6,9-11,17,28H,4,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair