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PubChem AID 1070

Compile data set for download or QSAR
Found 66 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM34194
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(4-methylpipe...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-4-6-20(7-5-19)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)8-9/h2-3,8H,4-7H2,1H3
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n/an/a 362n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39124
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(dimethylamin...)
Show SMILES CN(C)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:3|
Show InChI InChI=1S/C12H9Cl3N2O2/c1-16(2)10-9(15)11(18)17(12(10)19)6-3-4-7(13)8(14)5-6/h3-5H,1-2H3
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n/an/a 419n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39146
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-[2-(2-hydr...)
Show SMILES OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:13|
Show InChI InChI=1S/C18H20Cl3N3O4/c19-13-2-1-12(11-14(13)20)24-17(26)15(21)16(18(24)27)23-5-3-22(4-6-23)7-9-28-10-8-25/h1-2,11,25H,3-10H2
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39156
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-(2-hydroxy...)
Show SMILES OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:10|
Show InChI InChI=1S/C16H16Cl3N3O3/c17-11-2-1-10(9-12(11)18)22-15(24)13(19)14(16(22)25)21-5-3-20(4-6-21)7-8-23/h1-2,9,23H,3-8H2
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n/an/a 556n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39172
PNG
(3-chloranyl-4-(4-ethylpiperazin-1-yl)-1-(4-nitroph...)
Show SMILES CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C16H17ClN4O4/c1-2-18-7-9-19(10-8-18)14-13(17)15(22)20(16(14)23)11-3-5-12(6-4-11)21(24)25/h3-6H,2,7-10H2,1H3
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n/an/a 565n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39149
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-[(E)-3-phe...)
Show SMILES ClC1=C(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C23H20Cl3N3O2/c24-18-9-8-17(15-19(18)25)29-22(30)20(26)21(23(29)31)28-13-11-27(12-14-28)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+
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n/an/a 594n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39134
PNG
(1-[2,3-bis(chloranyl)phenyl]-3,4-bis(chloranyl)pyr...)
Show SMILES ClC1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:1|
Show InChI InChI=1S/C10H3Cl4NO2/c11-4-2-1-3-5(6(4)12)15-9(16)7(13)8(14)10(15)17/h1-3H
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n/an/a 979n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39184
PNG
(3,4-bis(chloranyl)-1-[4-(trifluoromethyl)phenyl]py...)
Show SMILES FC(F)(F)c1ccc(cc1)N1C(=O)C(Cl)=C(Cl)C1=O |t:15|
Show InChI InChI=1S/C11H4Cl2F3NO2/c12-7-8(13)10(19)17(9(7)18)6-3-1-5(2-4-6)11(14,15)16/h1-4H
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n/an/a 999n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39123
PNG
(3,4-bis(chloranyl)-1-(3,4-dichlorophenyl)pyrrole-2...)
Show SMILES ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C10H3Cl4NO2/c11-5-2-1-4(3-6(5)12)15-9(16)7(13)8(14)10(15)17/h1-3H
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n/an/a 1.15E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39147
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(3R)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-8-7-20(5-4-19-8)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)6-9/h2-3,6,8,19H,4-5,7H2,1H3/t8-/m1/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39159
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
Show InChI InChI=1S/C21H18Cl3N3O3/c1-30-15-5-2-13(3-6-15)25-8-10-26(11-9-25)19-18(24)20(28)27(21(19)29)14-4-7-16(22)17(23)12-14/h2-7,12H,8-11H2,1H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39162
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-(3-methoxy...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
Show InChI InChI=1S/C21H18Cl3N3O3/c1-30-15-4-2-3-13(11-15)25-7-9-26(10-8-25)19-18(24)20(28)27(21(19)29)14-5-6-16(22)17(23)12-14/h2-6,11-12H,7-10H2,1H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39148
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(3S)-3-methy...)
Show SMILES C[C@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-8-7-20(5-4-19-8)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)6-9/h2-3,6,8,19H,4-5,7H2,1H3/t8-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39131
PNG
(1-[3,5-bis(chloranyl)phenyl]-3,4-bis(chloranyl)pyr...)
Show SMILES ClC1=C(Cl)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:1|
Show InChI InChI=1S/C10H3Cl4NO2/c11-4-1-5(12)3-6(2-4)15-9(16)7(13)8(14)10(15)17/h1-3H
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n/an/a 1.42E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39171
PNG
(3-chloranyl-4-morpholin-4-yl-1-(4-nitrophenyl)pyrr...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:14|
Show InChI InChI=1S/C14H12ClN3O5/c15-11-12(16-5-7-23-8-6-16)14(20)17(13(11)19)9-1-3-10(4-2-9)18(21)22/h1-4H,5-8H2
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n/an/a 1.49E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39120
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-morpholin-4-y...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C14H11Cl3N2O3/c15-9-2-1-8(7-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
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n/an/a 1.51E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39152
PNG
(3-(4-benzylpiperazin-1-yl)-4-chloro-1-(3,4-dichlor...)
Show SMILES ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C21H18Cl3N3O2/c22-16-7-6-15(12-17(16)23)27-20(28)18(24)19(21(27)29)26-10-8-25(9-11-26)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
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n/an/a 1.62E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39127
PNG
(1-[3,5-bis(chloranyl)phenyl]-3-chloranyl-4-morphol...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:1|
Show InChI InChI=1S/C14H11Cl3N2O3/c15-8-5-9(16)7-10(6-8)19-13(20)11(17)12(14(19)21)18-1-3-22-4-2-18/h5-7H,1-4H2
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n/an/a 1.63E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39132
PNG
(3,4-bis(chloranyl)-1-(2,4-dichlorophenyl)pyrrole-2...)
Show SMILES ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)cc1Cl |c:1|
Show InChI InChI=1S/C10H3Cl4NO2/c11-4-1-2-6(5(12)3-4)15-9(16)7(13)8(14)10(15)17/h1-3H
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n/an/a 1.64E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39150
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(4-ethylpiper...)
Show SMILES CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
Show InChI InChI=1S/C16H16Cl3N3O2/c1-2-20-5-7-21(8-6-20)14-13(19)15(23)22(16(14)24)10-3-4-11(17)12(18)9-10/h3-4,9H,2,5-8H2,1H3
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n/an/a 1.67E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM34184
PNG
(MLS000052391 | N-[1-(1-adamantyl)-1H-pyrazol-4-yl]...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(NC(=O)c2cnn3c(cc(nc23)-c2ccco2)C(F)(F)F)cn1 |TLB:5:3:11:6.9.8,8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C25H23F3N6O2/c26-25(27,28)21-7-19(20-2-1-3-36-20)32-22-18(12-30-34(21)22)23(35)31-17-11-29-33(13-17)24-8-14-4-15(9-24)6-16(5-14)10-24/h1-3,7,11-16H,4-6,8-10H2,(H,31,35)
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n/an/a 1.69E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39185
PNG
(3-chloranyl-1-(4-methylphenyl)-4-[(4-methylphenyl)...)
Show SMILES Cc1ccc(cc1)N=C1C(Cl)C(=O)N(C1=O)c1ccc(C)cc1 |w:7.7|
Show InChI InChI=1S/C18H15ClN2O2/c1-11-3-7-13(8-4-11)20-16-15(19)17(22)21(18(16)23)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39153
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(4-pyrimidin-...)
Show SMILES ClC1=C(N2CCN(CC2)c2ncccn2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C18H14Cl3N5O2/c19-12-3-2-11(10-13(12)20)26-16(27)14(21)15(17(26)28)24-6-8-25(9-7-24)18-22-4-1-5-23-18/h1-5,10H,6-9H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39144
PNG
(3-chloranyl-1-(3-chlorophenyl)-4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:8|
Show InChI InChI=1S/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
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n/an/a 2.15E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM34188
PNG
(2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin...)
Show SMILES CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12F4N2O4S/c1-2-25-13(22)8-26(23,24)14-20-11(7-12(21-14)15(17,18)19)9-3-5-10(16)6-4-9/h3-7H,2,8H2,1H3
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n/an/a 2.16E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39143
PNG
(3-chloranyl-1-(2-chlorophenyl)-4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccccc1Cl |c:8|
Show InChI InChI=1S/C15H15Cl2N3O2/c1-18-6-8-19(9-7-18)13-12(17)14(21)20(15(13)22)11-5-3-2-4-10(11)16/h2-5H,6-9H2,1H3
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n/an/a 2.16E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM41991
PNG
(3-chloranyl-4-(dimethylamino)-1-(3-nitrophenyl)pyr...)
Show SMILES CN(C)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:3|
Show InChI InChI=1S/C12H10ClN3O4/c1-14(2)10-9(13)11(17)15(12(10)18)7-4-3-5-8(6-7)16(19)20/h3-6H,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39138
PNG
(1-[3,5-bis(chloranyl)phenyl]-3-chloranyl-4-(4-meth...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-2-4-20(5-3-19)13-12(18)14(22)21(15(13)23)11-7-9(16)6-10(17)8-11/h6-8H,2-5H2,1H3
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n/an/a 2.44E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39174
PNG
(3-chloranyl-4-[4-[2-(2-hydroxyethyloxy)ethyl]piper...)
Show SMILES OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O |c:13|
Show InChI InChI=1S/C18H21ClN4O6/c19-15-16(21-7-5-20(6-8-21)9-11-29-12-10-24)18(26)22(17(15)25)13-1-3-14(4-2-13)23(27)28/h1-4,24H,5-12H2
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n/an/a 2.59E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39139
PNG
(3-chloranyl-1-(2,4-dichlorophenyl)-4-(4-methylpipe...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)cc1Cl |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-4-6-20(7-5-19)13-12(18)14(22)21(15(13)23)11-3-2-9(16)8-10(11)17/h2-3,8H,4-7H2,1H3
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n/an/a 2.62E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39137
PNG
(3,4-bis(chloranyl)-1-(3-chlorophenyl)pyrrole-2,5-d...)
Show SMILES ClC1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:1|
Show InChI InChI=1S/C10H4Cl3NO2/c11-5-2-1-3-6(4-5)14-9(15)7(12)8(13)10(14)16/h1-4H
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n/an/a 3.41E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM34164
PNG
((3E)-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-ylide...)
Show SMILES COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN3O3/c1-24-13-6-7-15-11(8-13)9-14(17(23)20-15)16-21-18(25-22-16)10-2-4-12(19)5-3-10/h2-9H,1H3,(H,20,23)
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n/an/a 3.85E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39128
PNG
(1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-morphol...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:1|
Show InChI InChI=1S/C14H11Cl3N2O3/c15-8-2-1-3-9(10(8)16)19-13(20)11(17)12(14(19)21)18-4-6-22-7-5-18/h1-3H,4-7H2
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n/an/a 4.05E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39151
PNG
(3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4...)
Show SMILES ClC1=C(N2CCN(Cc3ccc4OCOc4c3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C22H18Cl3N3O4/c23-15-3-2-14(10-16(15)24)28-21(29)19(25)20(22(28)30)27-7-5-26(6-8-27)11-13-1-4-17-18(9-13)32-12-31-17/h1-4,9-10H,5-8,11-12H2
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n/an/a 4.07E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39168
PNG
(3-chloranyl-4-[4-[2-(2-hydroxyethyloxy)ethyl]piper...)
Show SMILES Cc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCOCCO)CC2)C1=O |t:12|
Show InChI InChI=1S/C19H24ClN3O4/c1-14-3-2-4-15(13-14)23-18(25)16(20)17(19(23)26)22-7-5-21(6-8-22)9-11-27-12-10-24/h2-4,13,24H,5-12H2,1H3
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n/an/a 4.46E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39173
PNG
(3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=O)C(Cl)=C(N2CCN(Cc3ccc4OCOc4c3)CC2)C1=O |t:14|
Show InChI InChI=1S/C22H19ClN4O6/c23-19-20(22(29)26(21(19)28)15-2-4-16(5-3-15)27(30)31)25-9-7-24(8-10-25)12-14-1-6-17-18(11-14)33-13-32-17/h1-6,11H,7-10,12-13H2
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n/an/a 4.68E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39154
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(4-phenylpipe...)
Show SMILES ClC1=C(N2CCN(CC2)c2ccccc2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C20H16Cl3N3O2/c21-15-7-6-14(12-16(15)22)26-19(27)17(23)18(20(26)28)25-10-8-24(9-11-25)13-4-2-1-3-5-13/h1-7,12H,8-11H2
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n/an/a 4.95E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM34183
PNG
(2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulf...)
Show SMILES CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C15H13F3N2O4S/c1-2-24-13(21)9-25(22,23)14-19-11(10-6-4-3-5-7-10)8-12(20-14)15(16,17)18/h3-8H,2,9H2,1H3
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n/an/a 5.36E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM34180
PNG
(3-(3,4-dimethoxyphenyl)-1-[(pentafluorophenyl)sulf...)
Show SMILES COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C17H12F5N3O4S/c1-28-9-4-3-7(5-10(9)29-2)8-6-11(23)25(24-8)30(26,27)17-15(21)13(19)12(18)14(20)16(17)22/h3-6H,23H2,1-2H3
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n/an/a 5.39E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39164
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(2-methyl-3-o...)
Show SMILES CC1N(CCNC1=O)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
Show InChI InChI=1S/C15H12Cl3N3O3/c1-7-13(22)19-4-5-20(7)12-11(18)14(23)21(15(12)24)8-2-3-9(16)10(17)6-8/h2-3,6-7H,4-5H2,1H3,(H,19,22)
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n/an/a 5.63E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39118
PNG
(2-mesyl-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyr...)
Show SMILES COc1cccc(c1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O3S/c1-21-9-5-3-4-8(6-9)10-7-11(13(14,15)16)18-12(17-10)22(2,19)20/h3-7H,1-2H3
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n/an/a 6.78E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39176
PNG
(3-chloranyl-4-(4-methylpiperazin-1-yl)-1-(3-nitrop...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:8|
Show InChI InChI=1S/C15H15ClN4O4/c1-17-5-7-18(8-6-17)13-12(16)14(21)19(15(13)22)10-3-2-4-11(9-10)20(23)24/h2-4,9H,5-8H2,1H3
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n/an/a 6.79E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39158
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(3-methylpipe...)
Show SMILES CC1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-8-7-20(5-4-19-8)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)6-9/h2-3,6,8,19H,4-5,7H2,1H3
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n/an/a 6.96E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39130
PNG
(3-chloranyl-1-(3-chlorophenyl)-4-morpholin-4-yl-py...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cccc(Cl)c1 |c:1|
Show InChI InChI=1S/C14H12Cl2N2O3/c15-9-2-1-3-10(8-9)18-13(19)11(16)12(14(18)20)17-4-6-21-7-5-17/h1-3,8H,4-7H2
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n/an/a 8.47E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39141
PNG
(1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(4-meth...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-5-7-20(8-6-19)13-12(18)14(22)21(15(13)23)10-4-2-3-9(16)11(10)17/h2-4H,5-8H2,1H3
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n/an/a 8.74E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39170
PNG
(3-chloranyl-4-[4-[2-(2-hydroxyethyloxy)ethyl]piper...)
Show SMILES COc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCOCCO)CC2)C1=O |t:13|
Show InChI InChI=1S/C19H24ClN3O5/c1-27-15-4-2-3-14(13-15)23-18(25)16(20)17(19(23)26)22-7-5-21(6-8-22)9-11-28-12-10-24/h2-4,13,24H,5-12H2,1H3
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n/an/a 8.85E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39157
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-(2-methoxy...)
Show SMILES COc1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
Show InChI InChI=1S/C21H18Cl3N3O3/c1-30-17-5-3-2-4-16(17)25-8-10-26(11-9-25)19-18(24)20(28)27(21(19)29)13-6-7-14(22)15(23)12-13/h2-7,12H,8-11H2,1H3
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n/an/a 9.57E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39175
PNG
(3-chloranyl-4-morpholin-4-yl-1-(3-nitrophenyl)pyrr...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:14|
Show InChI InChI=1S/C14H12ClN3O5/c15-11-12(16-4-6-23-7-5-16)14(20)17(13(11)19)9-2-1-3-10(8-9)18(21)22/h1-3,8H,4-7H2
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n/an/a 9.68E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39136
PNG
(3,4-bis(chloranyl)-1-(2-chlorophenyl)pyrrole-2,5-d...)
Show SMILES ClC1=C(Cl)C(=O)N(C1=O)c1ccccc1Cl |c:1|
Show InChI InChI=1S/C10H4Cl3NO2/c11-5-3-1-2-4-6(5)14-9(15)7(12)8(13)10(14)16/h1-4H
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n/an/a 1.02E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39160
PNG
(3-(4-butyl-1-piperazinyl)-4-chloro-1-(3,4-dichloro...)
Show SMILES CCCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:11|
Show InChI InChI=1S/C18H20Cl3N3O2/c1-2-3-6-22-7-9-23(10-8-22)16-15(21)17(25)24(18(16)26)12-4-5-13(19)14(20)11-12/h4-5,11H,2-3,6-10H2,1H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39183
PNG
(3,4-bis(chloranyl)-1-(3-nitrophenyl)pyrrole-2,5-di...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)C(Cl)=C(Cl)C1=O |t:14|
Show InChI InChI=1S/C10H4Cl2N2O4/c11-7-8(12)10(16)13(9(7)15)5-2-1-3-6(4-5)14(17)18/h1-4H
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n/an/a 1.19E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39169
PNG
(3-chloranyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1...)
Show SMILES Cc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCO)CC2)C1=O |t:12|
Show InChI InChI=1S/C17H20ClN3O3/c1-12-3-2-4-13(11-12)21-16(23)14(18)15(17(21)24)20-7-5-19(6-8-20)9-10-22/h2-4,11,22H,5-10H2,1H3
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n/an/a 1.23E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39179
PNG
(3-chloranyl-1-(6-chloranylpyridin-3-yl)-4-morpholi...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:1|
Show InChI InChI=1S/C13H11Cl2N3O3/c14-9-2-1-8(7-16-9)18-12(19)10(15)11(13(18)20)17-3-5-21-6-4-17/h1-2,7H,3-6H2
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n/an/a 1.26E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39167
PNG
(3-chloranyl-1-(3-methylphenyl)-4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(C)c1 |c:8|
Show InChI InChI=1S/C16H18ClN3O2/c1-11-4-3-5-12(10-11)20-15(21)13(17)14(16(20)22)19-8-6-18(2)7-9-19/h3-5,10H,6-9H2,1-2H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39122
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(2-methoxyeth...)
Show SMILES COCC=Nc1c(Cl)c(O)n(c1O)-c1ccc(Cl)c(Cl)c1 |w:4.4|
Show InChI InChI=1S/C13H11Cl3N2O3/c1-21-5-4-17-11-10(16)12(19)18(13(11)20)7-2-3-8(14)9(15)6-7/h2-4,6,19-20H,5H2,1H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39177
PNG
(3-chloranyl-4-[(3R)-3-methylpiperazin-1-yl]-1-(3-n...)
Show SMILES C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:8|
Show InChI InChI=1S/C15H15ClN4O4/c1-9-8-18(6-5-17-9)13-12(16)14(21)19(15(13)22)10-3-2-4-11(7-10)20(23)24/h2-4,7,9,17H,5-6,8H2,1H3/t9-/m1/s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39140
PNG
(1-[2,6-bis(chloranyl)phenyl]-3-chloranyl-4-(4-meth...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1c(Cl)cccc1Cl |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-5-7-20(8-6-19)13-11(18)14(22)21(15(13)23)12-9(16)3-2-4-10(12)17/h2-4H,5-8H2,1H3
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n/an/a 1.34E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39180
PNG
(3-chloranyl-1-(6-chloranylpyridin-3-yl)-4-(4-ethyl...)
Show SMILES CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:9|
Show InChI InChI=1S/C15H16Cl2N4O2/c1-2-19-5-7-20(8-6-19)13-12(17)14(22)21(15(13)23)10-3-4-11(16)18-9-10/h3-4,9H,2,5-8H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39155
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(2S,5R)-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
Show InChI InChI=1S/C16H16Cl3N3O2/c1-8-7-21(9(2)6-20-8)14-13(19)15(23)22(16(14)24)10-3-4-11(17)12(18)5-10/h3-5,8-9,20H,6-7H2,1-2H3/t8-,9+/m1/s1
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n/an/a 1.59E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39165
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-[2-(pyridi...)
Show SMILES ClC1=C(N2CCN(CCNCc3ccccn3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C22H22Cl3N5O2/c23-17-5-4-16(13-18(17)24)30-21(31)19(25)20(22(30)32)29-11-9-28(10-12-29)8-7-26-14-15-3-1-2-6-27-15/h1-6,13,26H,7-12,14H2
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n/an/a 1.63E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM34189
PNG
(MLS000119701 | N-[4-[(4-methyl-1-piperidinyl)methy...)
Show SMILES CC1CCN(Cc2ccc(NC(=O)C3CCN(CC3)c3nnc(s3)-n3cccc3)cc2)CC1
Show InChI InChI=1S/C25H32N6OS/c1-19-8-14-29(15-9-19)18-20-4-6-22(7-5-20)26-23(32)21-10-16-31(17-11-21)25-28-27-24(33-25)30-12-2-3-13-30/h2-7,12-13,19,21H,8-11,14-18H2,1H3,(H,26,32)
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n/an/a 2.08E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 2.32E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39142
PNG
(1-[2,6-bis(chloranyl)-3-methyl-phenyl]-3-chloranyl...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1c(Cl)ccc(C)c1Cl |c:8|
Show InChI InChI=1S/C16H16Cl3N3O2/c1-9-3-4-10(17)13(11(9)18)22-15(23)12(19)14(16(22)24)21-7-5-20(2)6-8-21/h3-4H,5-8H2,1-2H3
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n/an/a 2.39E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39181
PNG
(3-chloranyl-1-(2-chloranylpyridin-4-yl)-4-(4-methy...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:8|
Show InChI InChI=1S/C14H14Cl2N4O2/c1-18-4-6-19(7-5-18)12-11(16)13(21)20(14(12)22)9-2-3-17-10(15)8-9/h2-3,8H,4-7H2,1H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39178
PNG
(3-chloranyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1...)
Show SMILES OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:10|
Show InChI InChI=1S/C16H17ClN4O5/c17-13-14(19-6-4-18(5-7-19)8-9-22)16(24)20(15(13)23)11-2-1-3-12(10-11)21(25)26/h1-3,10,22H,4-9H2
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n/an/a 3.09E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))		BDBM39182
PNG
(3-chloranyl-1-(2-chloranylpyridin-4-yl)-4-[4-[2-(2...)
Show SMILES OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:13|
Show InChI InChI=1S/C17H20Cl2N4O4/c18-13-11-12(1-2-20-13)23-16(25)14(19)15(17(23)26)22-5-3-21(4-6-22)7-9-27-10-8-24/h1-2,11,24H,3-10H2
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n/an/a 3.32E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%