BindingDB logo
myBDB logout

BDBM62272 MLS-0375912.0001::N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide::N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-pyrazole-3-carboxamide::N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide::cid_24793159

SMILES: Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=WEZRHPWWPXDLTL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 62272   
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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62272
PNG
(MLS-0375912.0001 | N-[1-(4-tert-butylphenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O/c1-22(2,3)15-8-10-16(11-9-15)27-19-7-5-6-18(17(19)14-24-27)25-21(28)20-12-13-23-26(20)4/h8-14,18H,5-7H2,1-4H3,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 232n/an/an/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 (2010)


BindingDB Entry DOI: 10.7270/Q2Z899VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62272
PNG
(MLS-0375912.0001 | N-[1-(4-tert-butylphenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O/c1-22(2,3)15-8-10-16(11-9-15)27-19-7-5-6-18(17(19)14-24-27)25-21(28)20-12-13-23-26(20)4/h8-14,18H,5-7H2,1-4H3,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 200n/an/an/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM62272
PNG
(MLS-0375912.0001 | N-[1-(4-tert-butylphenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O/c1-22(2,3)15-8-10-16(11-9-15)27-19-7-5-6-18(17(19)14-24-27)25-21(28)20-12-13-23-26(20)4/h8-14,18H,5-7H2,1-4H3,(H,25,28)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.54E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Galanin receptor 3


(Homo sapiens (Human))
BDBM62272
PNG
(MLS-0375912.0001 | N-[1-(4-tert-butylphenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O/c1-22(2,3)15-8-10-16(11-9-15)27-19-7-5-6-18(17(19)14-24-27)25-21(28)20-12-13-23-26(20)4/h8-14,18H,5-7H2,1-4H3,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 143n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM62272
PNG
(MLS-0375912.0001 | N-[1-(4-tert-butylphenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O/c1-22(2,3)15-8-10-16(11-9-15)27-19-7-5-6-18(17(19)14-24-27)25-21(28)20-12-13-23-26(20)4/h8-14,18H,5-7H2,1-4H3,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair