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BDBM61188 4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid::4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid::4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid::4-keto-4-[5-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-3-(p-tolyl)-2-pyrazolin-1-yl]butyric acid::MLS000680473::SMR000324613::US9533969, TDRL-520::cid_5055219

SMILES: Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O

InChI Key: InChIKey=UCLQPKSPVFQXNS-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 = 61188   
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
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM61188
PNG
(4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phen...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O |t:8|
Show InChI InChI=1S/C30H28N4O3/c1-20-8-12-22(13-9-20)26-18-27(34(31-26)28(35)16-17-29(36)37)25-19-33(24-6-4-3-5-7-24)32-30(25)23-14-10-21(2)11-15-23/h3-15,19,27H,16-18H2,1-2H3,(H,36,37)
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PC cid
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PCBioAssay
n/an/a 4.80E+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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM61188
PNG
(4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phen...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O |t:8|
Show InChI InChI=1S/C30H28N4O3/c1-20-8-12-22(13-9-20)26-18-27(34(31-26)28(35)16-17-29(36)37)25-19-33(24-6-4-3-5-7-24)32-30(25)23-14-10-21(2)11-15-23/h3-15,19,27H,16-18H2,1-2H3,(H,36,37)
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US Patent
n/an/a 2.03E+4n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
Small molecule inhibitors were obtained from ChemDiv and resuspended in DMSO. Compound TDLR-505 was independently synthesized and structure confirmed...


US Patent US9533969 (2017)


BindingDB Entry DOI: 10.7270/Q2445KDJ
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61188
PNG
(4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phen...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O |t:8|
Show InChI InChI=1S/C30H28N4O3/c1-20-8-12-22(13-9-20)26-18-27(34(31-26)28(35)16-17-29(36)37)25-19-33(24-6-4-3-5-7-24)32-30(25)23-14-10-21(2)11-15-23/h3-15,19,27H,16-18H2,1-2H3,(H,36,37)
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PCBioAssay
n/an/a 2.02E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair