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5 similar compounds to monomer 81755

Wt: 337.3
BDBM64531
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Wt: 435.5
BDBM76972
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Wt: 379.4
BDBM77020
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Wt: 339.3
BDBM81756
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Wt: 395.4
BDBM94301
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 64531,76972,77020,81756,94301   
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
Hsf1 protein


(Mus musculus)
BDBM64531
PNG
(Benzo[1,3]dioxole-5-carboxylic acid methyl-(3-phen...)
Show SMILES CN(Cc1nc(no1)-c1ccccc1)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H15N3O4/c1-21(18(22)13-7-8-14-15(9-13)24-11-23-14)10-16-19-17(20-25-16)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM76972
PNG
(MLS000051999 | N-cyclohexyl-3,4-dimethoxy-N-[[3-(4...)
Show SMILES COc1ccc(cc1OC)C(=O)N(Cc1nc(no1)-c1ccc(C)cc1)C1CCCCC1
Show InChI InChI=1S/C25H29N3O4/c1-17-9-11-18(12-10-17)24-26-23(32-27-24)16-28(20-7-5-4-6-8-20)25(29)19-13-14-21(30-2)22(15-19)31-3/h9-15,20H,4-8,16H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a 8.02E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


Citation and Details
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens)
BDBM94301
PNG
(Benzo[1,3]dioxole-5-carboxylic acid isopropyl-[3-(...)
Show SMILES COc1ccc(cc1)-c1noc(CN(C(C)C)C(=O)c2ccc3OCOc3c2)n1
Show InChI InChI=1S/C21H21N3O5/c1-13(2)24(21(25)15-6-9-17-18(10-15)28-12-27-17)11-19-22-20(23-29-19)14-4-7-16(26-3)8-5-14/h4-10,13H,11-12H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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PCBioAssay
n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




Citation and Details
More data for this
Ligand-Target Pair
Tubulin


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81756
PNG
(Chembridge No 9056942, Class 3, 7)
Show SMILES COc1cc(OC)cc(c1)C(=O)NCc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O4/c1-23-14-8-13(9-15(10-14)24-2)18(22)19-11-16-20-17(21-25-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22)
PDB

UniProtKB/TrEMBL

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Article
PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM81756
PNG
(Chembridge No 9056942, Class 3, 7)
Show SMILES COc1cc(OC)cc(c1)C(=O)NCc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O4/c1-23-14-8-13(9-15(10-14)24-2)18(22)19-11-16-20-17(21-25-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22)
PDB
MMDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.40E+5n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM77020
PNG
(MLS000100239 | N-[[3-(3-methylphenyl)-1,2,4-oxadia...)
Show SMILES CC(C)N(Cc1nc(no1)-c1cccc(C)c1)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H21N3O4/c1-13(2)24(21(25)16-7-8-17-18(10-16)27-12-26-17)11-19-22-20(23-28-19)15-6-4-5-14(3)9-15/h4-10,13H,11-12H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 8.31E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


Citation and Details
More data for this
Ligand-Target Pair