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BDBM76010 1-[2-(4-methoxyphenyl)-3,4-dimethyl-7-pyrazolo[3,4-d]pyridazinyl]-N-[(2-methylphenyl)methyl]-4-piperidinecarboxamide::1-[2-(4-methoxyphenyl)-3,4-dimethyl-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-methylbenzyl)isonipecotamide::1-[2-(4-methoxyphenyl)-3,4-dimethyl-pyrazolo[3,4-d]pyridazin-7-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide::1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide::MLS001116720::SMR000629915::cid_16023006

SMILES: COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)NCc1ccccc1C

InChI Key: InChIKey=WMKRAHFYBKHHRF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 76010   
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
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM76010
PNG
(1-[2-(4-methoxyphenyl)-3,4-dimethyl-7-pyrazolo[3,4...)
Show SMILES COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)NCc1ccccc1C
Show InChI InChI=1S/C28H32N6O2/c1-18-7-5-6-8-22(18)17-29-28(35)21-13-15-33(16-14-21)27-26-25(19(2)30-31-27)20(3)34(32-26)23-9-11-24(36-4)12-10-23/h5-12,21H,13-17H2,1-4H3,(H,29,35)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.01E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BK19S0
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM76010
PNG
(1-[2-(4-methoxyphenyl)-3,4-dimethyl-7-pyrazolo[3,4...)
Show SMILES COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)NCc1ccccc1C
Show InChI InChI=1S/C28H32N6O2/c1-18-7-5-6-8-22(18)17-29-28(35)21-13-15-33(16-14-21)27-26-25(19(2)30-31-27)20(3)34(32-26)23-9-11-24(36-4)12-10-23/h5-12,21H,13-17H2,1-4H3,(H,29,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.44E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26T0K34
More data for this
Ligand-Target Pair