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4 similar compounds to monomer 95601

Compile data set for download or QSAR
Wt: 434.5
BDBM66935
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Wt: 287.3
BDBM74178
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Wt: 301.3
BDBM95583
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Wt: 401.4
BDBM100146
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 66935,74178,95583,100146   
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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66935
PNG
(2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)o...)
Show SMILES CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C26H30N2O4/c1-3-20-15-25(30)32-23-14-18(2)13-22(26(20)23)31-17-24(29)27-21-9-11-28(12-10-21)16-19-7-5-4-6-8-19/h4-8,13-15,21H,3,9-12,16-17H2,1-2H3,(H,27,29)
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KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM100146
PNG
(1-[2-(4-butyl-2-keto-7-methyl-chromen-5-yl)oxyacet...)
Show SMILES CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(CC3)C(O)=O)c12
Show InChI InChI=1S/C22H27NO6/c1-3-4-5-16-12-20(25)29-18-11-14(2)10-17(21(16)18)28-13-19(24)23-8-6-15(7-9-23)22(26)27/h10-12,15H,3-9,13H2,1-2H3,(H,26,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>7.72E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95583
PNG
(MLS001159100 | N-cyclopropyl-2-(4-ethyl-2-keto-7-m...)
Show SMILES CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC3)c12
Show InChI InChI=1S/C17H19NO4/c1-3-11-8-16(20)22-14-7-10(2)6-13(17(11)14)21-9-15(19)18-12-4-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 292n/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/Q22F7M18
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM74178
PNG
(MLS001159096 | N-cyclopropyl-2-(2-keto-4,7-dimethy...)
Show SMILES Cc1cc(OCC(=O)NC2CC2)c2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C16H17NO4/c1-9-5-12(20-8-14(18)17-11-3-4-11)16-10(2)7-15(19)21-13(16)6-9/h5-7,11H,3-4,8H2,1-2H3,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair