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BDBM87263 2-amino-1-(3,5-dichlorophenyl)-1',7,7-trimethyl-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',7,7-trimethyl-2',5-dioxo-3-spiro[6,8-dihydroquinoline-4,3'-indole]carbonitrile::2-amino-1-(3,5-dichlorophenyl)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile::2-amino-1-(3,5-dichlorophenyl)-2',5-diketo-1',7,7-trimethyl-spiro[6,8-dihydroquinoline-4,3'-indoline]-3-carbonitrile::2-azanyl-1-[3,5-bis(chloranyl)phenyl]-1',7,7-trimethyl-2',5-bis(oxidanylidene)spiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile::MLS000545135::SMR000161610::cid_5075681

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

InChI Key: InChIKey=UJJDJVYSFUHJKP-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 = 87263   
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...)
BDBM87263
PNG
(2-amino-1-(3,5-dichlorophenyl)-1',7,7-trimethy...)
Show SMILES CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CC(C)(C)C3)c2cc(Cl)cc(Cl)c2)c2ccccc12 |c:11|
Show InChI InChI=1S/C26H22Cl2N4O2/c1-25(2)11-20-22(21(33)12-25)26(17-6-4-5-7-19(17)31(3)24(26)34)18(13-29)23(30)32(20)16-9-14(27)8-15(28)10-16/h4-10,18,30H,11-12H2,1-3H3
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.06E+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))
BDBM87263
PNG
(2-amino-1-(3,5-dichlorophenyl)-1',7,7-trimethy...)
Show SMILES CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CC(C)(C)C3)c2cc(Cl)cc(Cl)c2)c2ccccc12 |c:11|
Show InChI InChI=1S/C26H22Cl2N4O2/c1-25(2)11-20-22(21(33)12-25)26(17-6-4-5-7-19(17)31(3)24(26)34)18(13-29)23(30)32(20)16-9-14(27)8-15(28)10-16/h4-10,18,30H,11-12H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.34E+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))
BDBM87263
PNG
(2-amino-1-(3,5-dichlorophenyl)-1',7,7-trimethy...)
Show SMILES CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CC(C)(C)C3)c2cc(Cl)cc(Cl)c2)c2ccccc12 |c:11|
Show InChI InChI=1S/C26H22Cl2N4O2/c1-25(2)11-20-22(21(33)12-25)26(17-6-4-5-7-19(17)31(3)24(26)34)18(13-29)23(30)32(20)16-9-14(27)8-15(28)10-16/h4-10,18,30H,11-12H2,1-3H3
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