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5 similar compounds to monomer 91525

Compile data set for download or QSAR
Wt: 450.4
BDBM66975
Wt: 438.5
BDBM74399
Wt: 444.9
BDBM77929
Wt: 424.4
BDBM113920
Wt: 504.9
BDBM113921

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 66975,74399,77929,113920,113921   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66975
PNG
(MLS002174123 | SMR001261290 | cid_25102469)
Show SMILES CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C
Show InChI InChI=1S/C25H26N2O6/c1-5-32-23(29)20-17-12-33-19-11-14(31-4)7-9-16(19)21(17)27-22(28)15-8-6-13(2)10-18(15)26-24(30)25(20,27)3/h6-11,17,20-21H,5,12H2,1-4H3,(H,26,30)/t17-,20-,21+,25-/m1/s1
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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
LANA


(Human herpesvirus 8)
BDBM74399
PNG
(MLS002174212 | SMR001261379 | cid_42601183)
Show SMILES Cc1ccc2OC[C@H]3[C@@H](N4C(=O)c5cc(C)ccc5NC(=O)[C@@]4(C)[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C28H26N2O3/c1-16-9-11-22-19(13-16)26(31)30-25-20-14-17(2)10-12-23(20)33-15-21(25)24(18-7-5-4-6-8-18)28(30,3)27(32)29-22/h4-14,21,24-25H,15H2,1-3H3,(H,29,32)/t21-,24+,25+,28-/m1/s1
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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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM113920
PNG
(MLS002174171 | SMR001261338 | cid_25102755)
Show SMILES Cc1ccc2c(NC(=O)[C@@]3(C)[C@H]([C@H]4COc5ccccc5[C@@H]4N3C2=O)c2ccccc2)c1
Show InChI InChI=1S/C27H24N2O3/c1-16-12-13-18-21(14-16)28-26(31)27(2)23(17-8-4-3-5-9-17)20-15-32-22-11-7-6-10-19(22)24(20)29(27)25(18)30/h3-14,20,23-24H,15H2,1-2H3,(H,28,31)/t20-,23+,24+,27-/m1/s1
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n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DV1HJQ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM113921
PNG
(MLS002174230 | SMR001261397 | cid_25102765)
Show SMILES COc1cc2NC(=O)[C@@]3(C)[C@H]([C@H]4COc5ccc(Cl)cc5[C@@H]4N3C(=O)c2cc1OC)c1ccccc1
Show InChI InChI=1S/C28H25ClN2O5/c1-28-24(15-7-5-4-6-8-15)19-14-36-21-10-9-16(29)11-18(21)25(19)31(28)26(32)17-12-22(34-2)23(35-3)13-20(17)30-27(28)33/h4-13,19,24-25H,14H2,1-3H3,(H,30,33)/t19-,24+,25+,28-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DV1HJQ
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM77929
PNG
(MLS002174170 | SMR001261337 | cid_25102468)
Show SMILES C[C@]12[C@H]([C@H]3COc4ccccc4[C@@H]3N1C(=O)c1cc(Cl)ccc1NC2=O)c1ccccc1
Show InChI InChI=1S/C26H21ClN2O3/c1-26-22(15-7-3-2-4-8-15)19-14-32-21-10-6-5-9-17(21)23(19)29(26)24(30)18-13-16(27)11-12-20(18)28-25(26)31/h2-13,19,22-23H,14H2,1H3,(H,28,31)/t19-,22+,23+,26-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2736PK0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113921
PNG
(MLS002174230 | SMR001261397 | cid_25102765)
Show SMILES COc1cc2NC(=O)[C@@]3(C)[C@H]([C@H]4COc5ccc(Cl)cc5[C@@H]4N3C(=O)c2cc1OC)c1ccccc1
Show InChI InChI=1S/C28H25ClN2O5/c1-28-24(15-7-5-4-6-8-15)19-14-36-21-10-9-16(29)11-18(21)25(19)31(28)26(32)17-12-22(34-2)23(35-3)13-20(17)30-27(28)33/h4-13,19,24-25H,14H2,1-3H3,(H,30,33)/t19-,24+,25+,28-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2930RT9
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM77929
PNG
(MLS002174170 | SMR001261337 | cid_25102468)
Show SMILES C[C@]12[C@H]([C@H]3COc4ccccc4[C@@H]3N1C(=O)c1cc(Cl)ccc1NC2=O)c1ccccc1
Show InChI InChI=1S/C26H21ClN2O3/c1-26-22(15-7-3-2-4-8-15)19-14-32-21-10-6-5-9-17(21)23(19)29(26)24(30)18-13-16(27)11-12-20(18)28-25(26)31/h2-13,19,22-23H,14H2,1H3,(H,28,31)/t19-,22+,23+,26-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM77929
PNG
(MLS002174170 | SMR001261337 | cid_25102468)
Show SMILES C[C@]12[C@H]([C@H]3COc4ccccc4[C@@H]3N1C(=O)c1cc(Cl)ccc1NC2=O)c1ccccc1
Show InChI InChI=1S/C26H21ClN2O3/c1-26-22(15-7-3-2-4-8-15)19-14-32-21-10-6-5-9-17(21)23(19)29(26)24(30)18-13-16(27)11-12-20(18)28-25(26)31/h2-13,19,22-23H,14H2,1H3,(H,28,31)/t19-,22+,23+,26-/m1/s1
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n/an/a 6.74E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D2C
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM77929
PNG
(MLS002174170 | SMR001261337 | cid_25102468)
Show SMILES C[C@]12[C@H]([C@H]3COc4ccccc4[C@@H]3N1C(=O)c1cc(Cl)ccc1NC2=O)c1ccccc1
Show InChI InChI=1S/C26H21ClN2O3/c1-26-22(15-7-3-2-4-8-15)19-14-32-21-10-6-5-9-17(21)23(19)29(26)24(30)18-13-16(27)11-12-20(18)28-25(26)31/h2-13,19,22-23H,14H2,1H3,(H,28,31)/t19-,22+,23+,26-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113920
PNG
(MLS002174171 | SMR001261338 | cid_25102755)
Show SMILES Cc1ccc2c(NC(=O)[C@@]3(C)[C@H]([C@H]4COc5ccccc5[C@@H]4N3C2=O)c2ccccc2)c1
Show InChI InChI=1S/C27H24N2O3/c1-16-12-13-18-21(14-16)28-26(31)27(2)23(17-8-4-3-5-9-17)20-15-32-22-11-7-6-10-19(22)24(20)29(27)25(18)30/h3-14,20,23-24H,15H2,1-2H3,(H,28,31)/t20-,23+,24+,27-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2930RT9
More data for this
Ligand-Target Pair