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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'BRCA1-associated RING domain protein 1'   
Target
(Institution)
LigandTarget
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
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM63209
PNG
(3-(1-phenyl-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)...)
Show SMILES O=c1oc2ccccc2cc1-c1cn(-c2ccccc2)c(=S)[nH]1
Show InChI InChI=1S/C18H12N2O2S/c21-17-14(10-12-6-4-5-9-16(12)22-17)15-11-20(18(23)19-15)13-7-2-1-3-8-13/h1-11H,(H,19,23)
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n/an/a 3.53n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM48281
PNG
((2-fluorophenyl)-[5-[1-(2-methoxyethyl)-2,5-dimeth...)
Show SMILES COCCn1c(C)cc(c1C)C1=NN=C(Nc2ccccc2F)SC1
Show InChI InChI=1S/C18H21FN4OS/c1-12-10-14(13(2)23(12)8-9-24-3)17-11-25-18(22-21-17)20-16-7-5-4-6-15(16)19/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)
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n/an/a 493n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM79631
PNG
(5'-methoxy-1'-methyl-5H-spiro[benzimidazo[...)
Show SMILES COc1ccc2N(C)C(=O)C3(Nc4ccccc4-c4nc5ccccc5n34)c2c1
Show InChI InChI=1S/C23H18N4O2/c1-26-19-12-11-14(29-2)13-16(19)23(22(26)28)25-17-8-4-3-7-15(17)21-24-18-9-5-6-10-20(18)27(21)23/h3-13,25H,1-2H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM65180
PNG
((3,4-Dihydro-2H-quinolin-1-yl)-acetic acid [1-(2-h...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)CN1CCCc2ccccc12
Show InChI InChI=1S/C22H21N3O2/c26-21-12-11-16-6-1-3-9-18(16)19(21)14-23-24-22(27)15-25-13-5-8-17-7-2-4-10-20(17)25/h1-4,6-7,9-12,14,26H,5,8,13,15H2,(H,24,27)
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n/an/a 1.97E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM79632
PNG
(2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...)
Show SMILES CC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 3.89E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM72275
PNG
((E)-2-butenedioic acid O4-[2-[(diphenylmethyl)amin...)
Show SMILES CCOC(=O)\C=C\C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21NO5/c1-2-26-19(24)13-14-20(25)27-15-18(23)22-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,21H,2,15H2,1H3,(H,22,23)/b14-13+
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n/an/a 3.90E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM79636
PNG
(1-(2-furanylmethyl)-2-imino-10-methyl-5-oxo-N-(2-p...)
Show SMILES Cc1cccn2c1nc1n(Cc3ccco3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C26H23N5O3/c1-17-7-5-13-30-23(17)29-24-21(26(30)33)15-20(22(27)31(24)16-19-10-6-14-34-19)25(32)28-12-11-18-8-3-2-4-9-18/h2-10,13-15,27H,11-12,16H2,1H3,(H,28,32)
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n/an/a 4.13E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM60287
PNG
(2-nitro-N-(8-quinolinyl)benzenesulfonamide | 2-nit...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H11N3O4S/c19-18(20)13-8-1-2-9-14(13)23(21,22)17-12-7-3-5-11-6-4-10-16-15(11)12/h1-10,17H
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n/an/a 4.37E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM79637
PNG
(5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2...)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C21H15N3O3S/c1-13(25)14-5-7-15(8-6-14)18-9-10-19(27-18)20(26)24-21-23-17(12-28-21)16-4-2-3-11-22-16/h2-12H,1H3,(H,23,24,26)
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n/an/a 4.85E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM41443
PNG
(MLS000060380 | N-(2,5-diethoxy-4-morpholin-4-yl-ph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
Show InChI InChI=1S/C25H29N3O5/c1-3-31-22-16-20(28-11-13-30-14-12-28)23(32-4-2)15-19(22)27-24(29)17-33-21-9-5-7-18-8-6-10-26-25(18)21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,27,29)
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n/an/a 5.07E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM58130
PNG
((6E)-6-[4-[N'-[(1E)-1-(6-ketocyclohexa-2,4-dien-1-...)
Show SMILES CC(N=Nc1cc(C)nc(n1)-c1ccccc1O)c1ccccc1O
Show InChI InChI=1S/C19H18N4O2/c1-12-11-18(21-19(20-12)15-8-4-6-10-17(15)25)23-22-13(2)14-7-3-5-9-16(14)24/h3-11,13,24-25H,1-2H3
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n/an/a 5.35E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM48124
PNG
((4,8-dimethylquinazolin-2-yl)-[3-(3-morpholinoprop...)
Show SMILES Cc1cccc2c(C)nc(NC3=NCN(CCCN4CCOCC4)CN3)nc12
Show InChI InChI=1S/C20H29N7O/c1-15-5-3-6-17-16(2)23-20(24-18(15)17)25-19-21-13-27(14-22-19)8-4-7-26-9-11-28-12-10-26/h3,5-6H,4,7-14H2,1-2H3,(H2,21,22,23,24,25)
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n/an/a 5.59E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM79634
PNG
((E)-3-(2-Chloro-6-fluoro-phenyl)-1-(4-hydroxy-phen...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1c(F)cccc1Cl
Show InChI InChI=1S/C15H10ClFO2/c16-13-2-1-3-14(17)12(13)8-9-15(19)10-4-6-11(18)7-5-10/h1-9,18H/b9-8+
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n/an/a 6.64E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM79633
PNG
(4-[2-(4,5-dichloro-6-keto-pyridazin-1-yl)acetyl]-3...)
Show SMILES CC1(C)N(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c2ccccc2NC1=O
Show InChI InChI=1S/C16H14Cl2N4O3/c1-16(2)15(25)20-10-5-3-4-6-11(10)22(16)12(23)8-21-14(24)13(18)9(17)7-19-21/h3-7H,8H2,1-2H3,(H,20,25)
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n/an/a 8.39E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM43474
PNG
((3Z,5E)-1-ethyl-3,5-bis(3-hydroxy-4-methoxy-benzyl...)
Show SMILES CCN1C\C(=C\c2ccc(OC)c(O)c2)C(=O)\C(C1)=C\c1ccc(OC)c(O)c1
Show InChI InChI=1S/C23H25NO5/c1-4-24-13-17(9-15-5-7-21(28-2)19(25)11-15)23(27)18(14-24)10-16-6-8-22(29-3)20(26)12-16/h5-12,25-26H,4,13-14H2,1-3H3/b17-9-,18-10+
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n/an/a 9.78E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM61625
PNG
(2-chloranyl-N-[2-[(2-chloranylpyridin-3-yl)carbony...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)c(NC(=O)c2cccnc2Cl)c1
Show InChI InChI=1S/C22H21Cl2N5O4S/c1-3-29(4-2)34(32,33)14-9-10-17(27-21(30)15-7-5-11-25-19(15)23)18(13-14)28-22(31)16-8-6-12-26-20(16)24/h5-13H,3-4H2,1-2H3,(H,27,30)(H,28,31)
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n/an/a 1.01E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM79083
PNG
(2-[2-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-py...)
Show SMILES COc1ccc(cc1)-c1cc2n(n1)c(C)nn(CC(=O)NCCCN1CCC(CC1)N1CCCCC1)c2=O
Show InChI InChI=1S/C28H39N7O3/c1-21-30-34(28(37)26-19-25(31-35(21)26)22-7-9-24(38-2)10-8-22)20-27(36)29-13-6-14-32-17-11-23(12-18-32)33-15-4-3-5-16-33/h7-10,19,23H,3-6,11-18,20H2,1-2H3,(H,29,36)
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n/an/a 1.06E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM70514
PNG
(2-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]-5...)
Show SMILES Cn1nc(nc1Sc1nnc(o1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C11H8N6O3S/c1-16-10(12-9(15-16)17(18)19)21-11-14-13-8(20-11)7-5-3-2-4-6-7/h2-6H,1H3
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n/an/a 1.23E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM79630
PNG
(MLS000049666 | N-[4-[5-(3,4,5-trimethoxyphenyl)-1,...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C25H21N3O7/c1-30-20-11-16(12-21(31-2)22(20)32-3)25-27-23(28-35-25)14-4-7-17(8-5-14)26-24(29)15-6-9-18-19(10-15)34-13-33-18/h4-12H,13H2,1-3H3,(H,26,29)
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n/an/a 1.34E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens)
BDBM79635
PNG
(4-[(4-amino-6,7-dimethoxy-2-quinazolinyl)amino]ben...)
Show SMILES CCOC(=O)c1ccc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C19H20N4O4/c1-4-27-18(24)11-5-7-12(8-6-11)21-19-22-14-10-16(26-3)15(25-2)9-13(14)17(20)23-19/h5-10H,4H2,1-3H3,(H3,20,21,22,23)
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n/an/a 1.43E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair