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BDBM61223 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea::1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea::1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea::1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea::MLS001044499::SMR000415003::cid_5708135

SMILES: Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C

InChI Key: InChIKey=HYKRNMNELIEBRR-RGVLZGJSSA-O

Data: 4 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 4 hits for monomerid = 61223   
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 E2I


(Homo sapiens (Human))
BDBM61223
PNG
(1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C19H17N6O4S/c1-12-17(18(27)24(23(12)2)14-6-4-3-5-7-14)21-19(30)22-20-11-13-10-15(25(28)29)8-9-16(13)26/h3-11H,1-2H3,(H2,21,22,30)/q-1/p+1/b20-11+
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 1.64E+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)


Article DOI: 10.1021/cb4002602
BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens (Human))
BDBM61223
PNG
(1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C19H17N6O4S/c1-12-17(18(27)24(23(12)2)14-6-4-3-5-7-14)21-19(30)22-20-11-13-10-15(25(28)29)8-9-16(13)26/h3-11H,1-2H3,(H2,21,22,30)/q-1/p+1/b20-11+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>9.41E+4n/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/Q2WQ02FK
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM61223
PNG
(1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C19H17N6O4S/c1-12-17(18(27)24(23(12)2)14-6-4-3-5-7-14)21-19(30)22-20-11-13-10-15(25(28)29)8-9-16(13)26/h3-11H,1-2H3,(H2,21,22,30)/q-1/p+1/b20-11+
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n/an/a>9.41E+4n/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/Q2RX99Q9
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61223
PNG
(1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C19H17N6O4S/c1-12-17(18(27)24(23(12)2)14-6-4-3-5-7-14)21-19(30)22-20-11-13-10-15(25(28)29)8-9-16(13)26/h3-11H,1-2H3,(H2,21,22,30)/q-1/p+1/b20-11+
PDB
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UniProtKB/TrEMBL

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PC cid
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UniChem
Article
PCBioAssay
n/an/a 1.14E+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)


Article DOI: 10.1016/j.bioorg.2013.11.005
BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair