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10 molecules are shown

Wt: 291.7
BDBM29318
Wt: 291.7
BDBM29319
Wt: 359.7
BDBM29320
Wt: 359.7
BDBM29321
Wt: 359.7
BDBM29322
Wt: 359.7
BDBM29323
Wt: 333.8
BDBM29324
Wt: 290.7
BDBM29325
Wt: 304.7
BDBM29326
Wt: 333.7
BDBM29327

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 29318,29319,29320,29321,29322,29323,29324,29325,29326,29327   
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
Androgen Receptor


(Homo sapiens (human))
BDBM29321
PNG
(oxazolidin-2-imine, 6d)
Show SMILES Cc1c(Cl)c(ccc1\N=C1/O[C@@H]([C@@H]2[C@@H](O)CCN12)C(F)(F)F)C#N
Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12-,13-/m0/s1
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Article
PubMed
0.200 -13.1n/an/a 19n/an/a7.622



Bristol-Myers Squibb Company



Assay Description
Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...


J Med Chem 52: 2794-8 (2009)


Article DOI: 10.1021/jm801583j
BindingDB Entry DOI: 10.7270/Q2W66J30
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM29319
PNG
(oxazolidin-2-imine, 6b)
Show SMILES Cc1c(Cl)c(ccc1\N=C1/OC[C@@H]2[C@@H](O)CCN12)C#N
Show InChI InChI=1S/C14H14ClN3O2/c1-8-10(3-2-9(6-16)13(8)15)17-14-18-5-4-12(19)11(18)7-20-14/h2-3,11-12,19H,4-5,7H2,1H3/b17-14-/t11-,12+/m1/s1
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Article
PubMed
0.300 -12.9n/an/a 14n/an/a7.622



Bristol-Myers Squibb Company



Assay Description
Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...


J Med Chem 52: 2794-8 (2009)


Article DOI: 10.1021/jm801583j
BindingDB Entry DOI: 10.7270/Q2W66J30
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM29320
PNG
(BMS-665139 | oxazolidin-2-imine, 6c)
Show SMILES Cc1c(Cl)c(ccc1\N=C1/O[C@H]([C@@H]2[C@@H](O)CCN12)C(F)(F)F)C#N
Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12-,13+/m0/s1
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Article
PubMed
0.300 -12.9n/an/a 0.200n/an/a7.622



Bristol-Myers Squibb Company



Assay Description
Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...


J Med Chem 52: 2794-8 (2009)


Article DOI: 10.1021/jm801583j
BindingDB Entry DOI: 10.7270/Q2W66J30
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM29323
PNG
(oxazolidin-2-imine, 6f)
Show SMILES Cc1c(Cl)c(ccc1\N=C1/O[C@H]([C@@H]2[C@H](O)CCN12)C(F)(F)F)C#N
Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12+,13-/m1/s1
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Article
PubMed
0.300 -12.9n/an/a 1.40n/an/a7.622



Bristol-Myers Squibb Company



Assay Description
Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...


J Med Chem 52: 2794-8 (2009)


Article DOI: 10.1021/jm801583j
BindingDB Entry DOI: 10.7270/Q2W66J30
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM29324
PNG
(oxazolidin-2-imine, 6g)
Show SMILES CC(C)[C@H]1O\C(=N/c2ccc(C#N)c(Cl)c2C)N2CC[C@@H](O)[C@@H]12
Show InChI InChI=1S/C17H20ClN3O2/c1-9(2)16-15-13(22)6-7-21(15)17(23-16)20-12-5-4-11(8-19)14(18)10(12)3/h4-5,9,13,15-16,22H,6-7H2,1-3H3/b20-17-/t13-,15+,16-/m1/s1
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Article
PubMed
0.700 -12.4n/an/a 3.70n/an/a7.622



Bristol-Myers Squibb Company



Assay Description
Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...


J Med Chem 52: 2794-8 (2009)


Article DOI: 10.1021/jm801583j
BindingDB Entry DOI: 10.7270/Q2W66J30
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM29318
PNG
(oxazolidin-2-imine, 6a)
Show SMILES Cc1c(Cl)c(ccc1\N=C1/OC[C@@H]2[C@H](O)CCN12)C#N
Show InChI InChI=1S/C14H14ClN3O2/c1-8-10(3-2-9(6-16)13(8)15)17-14-18-5-4-12(19)11(18)7-20-14/h2-3,11-12,19H,4-5,7H2,1H3/b17-14-/t11-,12-/m1/s1
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Article
PubMed
0.800 -12.3n/an/a 4.80n/an/a7.622



Bristol-Myers Squibb Company



Assay Description
Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...


J Med Chem 52: 2794-8 (2009)


Article DOI: 10.1021/jm801583j
BindingDB Entry DOI: 10.7270/Q2W66J30
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM29326
PNG
(guanidine derivative, 12)
Show SMILES CN1C[C@@H]2[C@H](O)CCN2\C1=N\c1ccc(C#N)c(Cl)c1C
Show InChI InChI=1S/C15H17ClN4O/c1-9-11(4-3-10(7-17)14(9)16)18-15-19(2)8-12-13(21)5-6-20(12)15/h3-4,12-13,21H,5-6,8H2,1-2H3/b18-15+/t12-,13-/m1/s1
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Article
PubMed
1.90 -11.8n/an/a 44n/an/a7.622



Bristol-Myers Squibb Company



Assay Description
Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...


J Med Chem 52: 2794-8 (2009)


Article DOI: 10.1021/jm801583j
BindingDB Entry DOI: 10.7270/Q2W66J30
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM29322
PNG
(oxazolidin-2-imine, 6e)
Show SMILES Cc1c(Cl)c(ccc1\N=C1/O[C@@H]([C@@H]2[C@H](O)CCN12)C(F)(F)F)C#N
Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12+,13+/m1/s1
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Article
PubMed
2.30 -11.7n/an/a 1.10n/an/a7.622



Bristol-Myers Squibb Company



Assay Description
Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...


J Med Chem 52: 2794-8 (2009)


Article DOI: 10.1021/jm801583j
BindingDB Entry DOI: 10.7270/Q2W66J30
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM29325
PNG
(guanidine derivative, 11)
Show SMILES Cc1c(NC2=NC[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl
Show InChI InChI=1S/C14H15ClN4O/c1-8-10(3-2-9(6-16)13(8)15)18-14-17-7-11-12(20)4-5-19(11)14/h2-3,11-12,20H,4-5,7H2,1H3,(H,17,18)/t11-,12-/m1/s1
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Article
PubMed
10 -10.8n/an/a 1.80E+3n/an/a7.622



Bristol-Myers Squibb Company



Assay Description
Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...


J Med Chem 52: 2794-8 (2009)


Article DOI: 10.1021/jm801583j
BindingDB Entry DOI: 10.7270/Q2W66J30
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM29327
PNG
(guanidine derivative, 13)
Show SMILES Cc1c(ccc(C#N)c1Cl)N=C1N2CC[C@@H](O)[C@H]2CN1C(N)=O
Show InChI InChI=1S/C15H16ClN5O2/c1-8-10(3-2-9(6-17)13(8)16)19-15-20-5-4-12(22)11(20)7-21(15)14(18)23/h2-3,11-12,22H,4-5,7H2,1H3,(H2,18,23)/t11-,12-/m1/s1
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Article
PubMed
19 -10.4n/an/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...


J Med Chem 52: 2794-8 (2009)


Article DOI: 10.1021/jm801583j
BindingDB Entry DOI: 10.7270/Q2W66J30
More data for this
Ligand-Target Pair