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BDBM79219 6-cyclopropyl-1-isopropyl-N-(4-sulfamoylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide::6-cyclopropyl-1-propan-2-yl-N-(4-sulfamoylphenyl)-4-pyrazolo[3,4-b]pyridinecarboxamide::6-cyclopropyl-1-propan-2-yl-N-(4-sulfamoylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide::MLS002171224::SMR001251521::cid_9268118

SMILES: CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=PCGVSZRRVBOKJA-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 = 79219   
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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79219
PNG
(6-cyclopropyl-1-isopropyl-N-(4-sulfamoylphenyl)pyr...)
Show SMILES CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H21N5O3S/c1-11(2)24-18-16(10-21-24)15(9-17(23-18)12-3-4-12)19(25)22-13-5-7-14(8-6-13)28(20,26)27/h5-12H,3-4H2,1-2H3,(H,22,25)(H2,20,26,27)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>2.00E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM79219
PNG
(6-cyclopropyl-1-isopropyl-N-(4-sulfamoylphenyl)pyr...)
Show SMILES CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H21N5O3S/c1-11(2)24-18-16(10-21-24)15(9-17(23-18)12-3-4-12)19(25)22-13-5-7-14(8-6-13)28(20,26)27/h5-12H,3-4H2,1-2H3,(H,22,25)(H2,20,26,27)
PDB

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UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 6.85E+3n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM79219
PNG
(6-cyclopropyl-1-isopropyl-N-(4-sulfamoylphenyl)pyr...)
Show SMILES CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H21N5O3S/c1-11(2)24-18-16(10-21-24)15(9-17(23-18)12-3-4-12)19(25)22-13-5-7-14(8-6-13)28(20,26)27/h5-12H,3-4H2,1-2H3,(H,22,25)(H2,20,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.36E+4n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair