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BDBM40650 11-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one::6-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one::6-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one::6-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one::6-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one::MLS000097259::SMR000075783::cid_2951463

SMILES: Cc1c(C2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(=O)C23)c(=O)n(-c2ccccc2)n1C

InChI Key: InChIKey=NTJXBGJWZBARPD-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 40650   
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 subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40650
PNG
(11-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyr...)
Show SMILES Cc1c(C2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(=O)C23)c(=O)n(-c2ccccc2)n1C |t:14|
Show InChI InChI=1S/C28H32N4O2/c1-16-12-20-21(13-17(16)2)30-26(25-22(29-20)14-28(4,5)15-23(25)33)24-18(3)31(6)32(27(24)34)19-10-8-7-9-11-19/h7-13,25-26,30H,14-15H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>1.56E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM40650
PNG
(11-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyr...)
Show SMILES Cc1c(C2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(=O)C23)c(=O)n(-c2ccccc2)n1C |t:14|
Show InChI InChI=1S/C28H32N4O2/c1-16-12-20-21(13-17(16)2)30-26(25-22(29-20)14-28(4,5)15-23(25)33)24-18(3)31(6)32(27(24)34)19-10-8-7-9-11-19/h7-13,25-26,30H,14-15H2,1-6H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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
BZLF2


(Human herpesvirus 4 type 2)
BDBM40650
PNG
(11-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyr...)
Show SMILES Cc1c(C2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(=O)C23)c(=O)n(-c2ccccc2)n1C |t:14|
Show InChI InChI=1S/C28H32N4O2/c1-16-12-20-21(13-17(16)2)30-26(25-22(29-20)14-28(4,5)15-23(25)33)24-18(3)31(6)32(27(24)34)19-10-8-7-9-11-19/h7-13,25-26,30H,14-15H2,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 3.33E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair