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SMILES: OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cc4ccccc4cc3O)sc2=O)c1

InChI Key: InChIKey=JTKJNYPWSRXMMI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50697   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50697
PNG
(3-[[4-chloranyl-2-oxidanylidene-5-[[(3-oxidanylnap...)
Show SMILES OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cc4ccccc4cc3O)sc2=O)c1 |w:14.14|
Show InChI InChI=1S/C23H16ClN3O5S/c24-20-19(33-23(32)27(20)12-13-4-3-7-16(8-13)22(30)31)11-25-26-21(29)17-9-14-5-1-2-6-15(14)10-18(17)28/h1-11,28H,12H2,(H,26,29)(H,30,31)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.74E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50697
PNG
(3-[[4-chloranyl-2-oxidanylidene-5-[[(3-oxidanylnap...)
Show SMILES OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cc4ccccc4cc3O)sc2=O)c1 |w:14.14|
Show InChI InChI=1S/C23H16ClN3O5S/c24-20-19(33-23(32)27(20)12-13-4-3-7-16(8-13)22(30)31)11-25-26-21(29)17-9-14-5-1-2-6-15(14)10-18(17)28/h1-11,28H,12H2,(H,26,29)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.41E+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
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM50697
PNG
(3-[[4-chloranyl-2-oxidanylidene-5-[[(3-oxidanylnap...)
Show SMILES OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cc4ccccc4cc3O)sc2=O)c1 |w:14.14|
Show InChI InChI=1S/C23H16ClN3O5S/c24-20-19(33-23(32)27(20)12-13-4-3-7-16(8-13)22(30)31)11-25-26-21(29)17-9-14-5-1-2-6-15(14)10-18(17)28/h1-11,28H,12H2,(H,26,29)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.86E+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