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Compile Data Set for Download or QSAR

Found 83 hits of ec50 data for polymerid = 3987   
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
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32318
PNG
(4-[[4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-2-thi...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H13N5OS/c1-10-14(21-8-2-7-17-15(21)18-10)13-9-23-16(20-13)19-11-3-5-12(22)6-4-11/h2-9,22H,1H3,(H,19,20)
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n/an/an/an/a 390n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32331
PNG
(MLS001007244 | SMR000352519 | cid_982808)
Show SMILES O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O2S/c31-25-21-20(17-6-2-1-3-7-17)16-33-24(21)27-23-19-9-5-4-8-18(19)22(28-30(23)25)26-10-11-29-12-14-32-15-13-29/h1-9,16H,10-15H2,(H,26,28)
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n/an/an/an/a 410n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32328
PNG
(4-[2-[(6,7-dimethoxy-2-sulfanylidene-1H-quinazolin...)
Show SMILES COc1cc2nc(=S)[nH]c(NCCc3ccc(cc3)S(N)(=O)=O)c2cc1OC
Show InChI InChI=1S/C18H20N4O4S2/c1-25-15-9-13-14(10-16(15)26-2)21-18(27)22-17(13)20-8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H2,20,21,22,27)
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n/an/an/an/a 510n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32284
PNG
((6E)-2-methoxy-6-[([1,2,4]triazolo[3,4-a]phthalazi...)
Show SMILES COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O
Show InChI InChI=1S/C17H14N6O2/c1-25-14-8-4-5-11(15(14)24)9-18-20-16-12-6-2-3-7-13(12)17-21-19-10-23(17)22-16/h2-8,10,24H,9H2,1H3
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n/an/an/an/a 570n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32274
PNG
(2,5-bis(chloranyl)-3-(4-methylpiperazin-1-yl)-6-(2...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O
Show InChI InChI=1S/C19H22Cl2N4O2S/c1-23-7-9-24(10-8-23)16-15(21)17(26)13(14(20)18(16)27)12-11-22-19(28-12)25-5-3-2-4-6-25/h11H,2-10H2,1H3
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n/an/an/an/a 1.00E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32325
PNG
(1-(3-chlorophenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C16H12ClN5O/c17-12-4-1-5-13(9-12)20-16(23)22-14-6-8-19-15(21-14)11-3-2-7-18-10-11/h1-10H,(H2,19,20,21,22,23)
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n/an/an/an/a 1.14E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32050
PNG
(MLS000080844 | SMR000044769 | cid_663844)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Show InChI InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2
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n/an/an/an/a 1.14E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32287
PNG
((5E)-5-[[5-(2-chlorophenyl)-2-furanyl]methylidene]...)
Show SMILES Clc1ccccc1-c1ccc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)o1
Show InChI InChI=1S/C19H16ClNO3S2/c20-15-6-2-1-5-14(15)16-8-7-12(24-16)10-17-18(22)21(19(25)26-17)11-13-4-3-9-23-13/h1-2,5-8,10,13H,3-4,9,11H2/b17-10+
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n/an/an/an/a 1.55E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32330
PNG
((2Z)-2-(5-fluoranyl-2-oxidanylidene-indol-3-yl)-2-...)
Show SMILES Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C14H8FN3OS/c1-7-6-20-14(17-7)10(5-16)12-9-4-8(15)2-3-11(9)18-13(12)19/h2-4,6H,1H3,(H,18,19)
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n/an/an/an/a 1.66E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32282
PNG
(2-[[2-amino-1-(3-ethoxypropyl)pyrrolo[3,2-b]quinox...)
Show SMILES CCOCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
Show InChI InChI=1S/C26H29N5O4S/c1-3-35-14-8-13-31-22(27)20(21-23(31)29-17-11-6-5-10-16(17)28-21)24(32)30-25-19(26(33)34-2)15-9-4-7-12-18(15)36-25/h5-6,10-11H,3-4,7-9,12-14,27H2,1-2H3,(H,30,32)
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n/an/an/an/a 1.97E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32277
PNG
((m-anisylideneamino)-([1,2,4]triazolo[3,4-a]phthal...)
Show SMILES COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1
Show InChI InChI=1S/C17H14N6O/c1-24-13-6-4-5-12(9-13)10-18-20-16-14-7-2-3-8-15(14)17-21-19-11-23(17)22-16/h2-9,11H,10H2,1H3
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n/an/an/an/a 2.04E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32315
PNG
(CHEMBL1345690 | MLS000715851 | SMR000277368 | cid_...)
Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
Show InChI InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)
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n/an/an/an/a 2.12E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32296
PNG
((E)-1-(4-methylphenyl)-3-[5-(4-methylphenyl)-2-fur...)
Show SMILES Cc1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(C)cc1
Show InChI InChI=1S/C21H18O2/c1-15-3-7-17(8-4-15)20(22)13-11-19-12-14-21(23-19)18-9-5-16(2)6-10-18/h3-14H,1-2H3/b13-11+
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n/an/an/an/a 2.14E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32285
PNG
((4E)-2-methoxy-4-[([1,2,4]triazolo[3,4-a]phthalazi...)
Show SMILES COc1cc(CN=Nc2nn3cnnc3c3ccccc23)ccc1O
Show InChI InChI=1S/C17H14N6O2/c1-25-15-8-11(6-7-14(15)24)9-18-20-16-12-4-2-3-5-13(12)17-21-19-10-23(17)22-16/h2-8,10,24H,9H2,1H3
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n/an/an/an/a 2.43E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32288
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-(4-pyrid...)
Show SMILES CN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C14H12N4O2S/c1-18(16-10-11-6-8-15-9-7-11)14-12-4-2-3-5-13(12)21(19,20)17-14/h2-10H,1H3
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n/an/an/an/a 2.64E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32294
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-[[(E)-3-...)
Show SMILES CN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C17H15N3O2S/c1-20(18-13-7-10-14-8-3-2-4-9-14)17-15-11-5-6-12-16(15)23(21,22)19-17/h2-13H,1H3/b10-7+,18-13?
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n/an/an/an/a 2.82E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32281
PNG
(6-(3,4-Dimethoxy-phenyl)-3-furan-2-yl-7H-[1,2,4]tr...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccco1
Show InChI InChI=1S/C16H14N4O3S/c1-21-12-6-5-10(8-14(12)22-2)11-9-24-16-18-17-15(20(16)19-11)13-4-3-7-23-13/h3-8H,9H2,1-2H3
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n/an/an/an/a 2.85E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32279
PNG
(4-(4-carbethoxyanilino)quinazoline-2-carboxylic ac...)
Show SMILES CCOC(=O)c1ccc(Nc2nc(nc3ccccc23)C(=O)OCC)cc1
Show InChI InChI=1S/C20H19N3O4/c1-3-26-19(24)13-9-11-14(12-10-13)21-17-15-7-5-6-8-16(15)22-18(23-17)20(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,22,23)
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n/an/an/an/a 2.97E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32312
PNG
((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Show SMILES COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O
Show InChI InChI=1S/C23H24O7/c1-27-17-9-13(10-18(28-2)22(17)25)7-15-5-6-16(21(15)24)8-14-11-19(29-3)23(26)20(12-14)30-4/h7-12,25-26H,5-6H2,1-4H3/b15-7+,16-8+
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n/an/an/an/a 3.02E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32283
PNG
(2-[[2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quino...)
Show SMILES COCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
Show InChI InChI=1S/C25H27N5O4S/c1-33-13-7-12-30-21(26)19(20-22(30)28-16-10-5-4-9-15(16)27-20)23(31)29-24-18(25(32)34-2)14-8-3-6-11-17(14)35-24/h4-5,9-10H,3,6-8,11-13,26H2,1-2H3,(H,29,31)
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n/an/an/an/a 3.32E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32265
PNG
(4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoli...)
Show SMILES CCOCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C15H21N3O3S/c1-4-21-7-5-6-16-14-10-8-12(19-2)13(20-3)9-11(10)17-15(22)18-14/h8-9H,4-7H2,1-3H3,(H2,16,17,18,22)
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n/an/an/an/a 3.43E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/an/an/a 3.43E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32268
PNG
(6,7-dimethoxy-4-(3-methoxypropylamino)-1H-quinazol...)
Show SMILES COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C14H19N3O3S/c1-18-6-4-5-15-13-9-7-11(19-2)12(20-3)8-10(9)16-14(21)17-13/h7-8H,4-6H2,1-3H3,(H2,15,16,17,21)
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n/an/an/an/a 3.65E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32276
PNG
(4-(butylamino)-6,7-dimethoxy-1H-quinazoline-2-thio...)
Show SMILES CCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C14H19N3O2S/c1-4-5-6-15-13-9-7-11(18-2)12(19-3)8-10(9)16-14(20)17-13/h7-8H,4-6H2,1-3H3,(H2,15,16,17,20)
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n/an/an/an/a 3.81E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32270
PNG
(6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazo...)
Show SMILES COc1cc2nc(=S)[nH]c(NCC3CCCO3)c2cc1OC
Show InChI InChI=1S/C15H19N3O3S/c1-19-12-6-10-11(7-13(12)20-2)17-15(22)18-14(10)16-8-9-4-3-5-21-9/h6-7,9H,3-5,8H2,1-2H3,(H2,16,17,18,22)
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n/an/an/an/a 4.65E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32303
PNG
(4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpy...)
Show SMILES Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
Show InChI InChI=1S/C19H14ClN3O6S/c1-10-5-11(2)22-19(21-10)30-9-13-7-16(24)17(8-28-13)29-18(25)12-3-4-14(20)15(6-12)23(26)27/h3-8H,9H2,1-2H3
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n/an/an/an/a 5.09E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32323
PNG
(MLS000685782 | N-[3-(3-methyl-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(NC(=O)c2ccco2)c1
Show InChI InChI=1S/C17H13N5O2/c1-11-19-20-16-8-7-14(21-22(11)16)12-4-2-5-13(10-12)18-17(23)15-6-3-9-24-15/h2-10H,1H3,(H,18,23)
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n/an/an/an/a 5.17E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32298
PNG
((E)-1-phenyl-3-[5-(p-tolyl)-2-furyl]prop-2-en-1-on...)
Show SMILES Cc1ccc(cc1)-c1ccc(\C=C\C(=O)c2ccccc2)o1
Show InChI InChI=1S/C20H16O2/c1-15-7-9-17(10-8-15)20-14-12-18(22-20)11-13-19(21)16-5-3-2-4-6-16/h2-14H,1H3/b13-11+
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n/an/an/an/a 5.19E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32316
PNG
(MLS000704595 | SMR000231990 | cid_5774988 | ethyl ...)
Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
Show InChI InChI=1S/C19H12ClNO4/c1-2-25-19(24)16-13-9-5-3-4-6-10(9)17(22)14-11(20)7-8-12(15(13)14)21-18(16)23/h3-8H,2H2,1H3,(H,21,23)
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n/an/an/an/a 5.86E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32310
PNG
(MLS000390238 | SMR000259502 | cid_6311834)
Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C25H23N3O4S/c26-21-20-19(18-6-3-11-32-18)17-8-7-14(12-15-4-1-9-30-15)22(17)28-25(20)33-23(21)24(29)27-13-16-5-2-10-31-16/h1,3-4,6,9,11-12,16H,2,5,7-8,10,13,26H2,(H,27,29)/b14-12+
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n/an/an/an/a 6.11E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32278
PNG
((6-anilino-2-pyridyl)-phenyl-amine | 2-N,6-N-diphe...)
Show SMILES N(c1ccccc1)c1cccc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H15N3/c1-3-8-14(9-4-1)18-16-12-7-13-17(20-16)19-15-10-5-2-6-11-15/h1-13H,(H2,18,19,20)
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n/an/an/an/a 6.98E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32269
PNG
(3-(3-pyridinyl)-6-thiophen-2-yl-7H-[1,2,4]triazolo...)
Show SMILES C1Sc2nnc(-c3cccnc3)n2N=C1c1cccs1
Show InChI InChI=1S/C13H9N5S2/c1-3-9(7-14-5-1)12-15-16-13-18(12)17-10(8-20-13)11-4-2-6-19-11/h1-7H,8H2
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n/an/an/an/a 7.17E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32267
PNG
(6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoli...)
Show SMILES COCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C13H17N3O3S/c1-17-5-4-14-12-8-6-10(18-2)11(19-3)7-9(8)15-13(20)16-12/h6-7H,4-5H2,1-3H3,(H2,14,15,16,20)
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n/an/an/an/a 7.43E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32261
PNG
(MLS000081169 | N,N-diethyl-4-(3-pyridin-3-yl-[1,2,...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C18H18N6S/c1-3-23(4-2)15-9-7-13(8-10-15)17-22-24-16(20-21-18(24)25-17)14-6-5-11-19-12-14/h5-12H,3-4H2,1-2H3
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n/an/an/an/a 7.92E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32311
PNG
(MLS000390291 | SMR000259554 | cid_7125637)
Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
Show InChI InChI=1S/C23H19N3O3S/c24-19-18-17(16-4-2-10-29-16)15-8-5-12(11-14-3-1-9-28-14)20(15)26-23(18)30-21(19)22(27)25-13-6-7-13/h1-4,9-11,13H,5-8,24H2,(H,25,27)/b12-11-
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n/an/an/an/a 9.01E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32308
PNG
((Z)-1-phenyl-3-(5-phenyl-2-furanyl)-2-propen-1-one...)
Show SMILES O=C(\C=C/c1ccc(o1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14O2/c20-18(15-7-3-1-4-8-15)13-11-17-12-14-19(21-17)16-9-5-2-6-10-16/h1-14H/b13-11-
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n/an/an/an/a 9.36E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32300
PNG
(4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-N-phenyl-...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1
Show InChI InChI=1S/C16H13N5S/c1-11-14(21-9-5-8-17-15(21)18-11)13-10-22-16(20-13)19-12-6-3-2-4-7-12/h2-10H,1H3,(H,19,20)
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n/an/an/an/a 1.01E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32326
PNG
(4-amino-6,7-dimethoxy-3-(2-phenylethyl)-2-quinazol...)
Show SMILES COc1cc2nc(=S)n(CCc3ccccc3)c(N)c2cc1OC
Show InChI InChI=1S/C18H19N3O2S/c1-22-15-10-13-14(11-16(15)23-2)20-18(24)21(17(13)19)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9,19H2,1-2H3
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n/an/an/an/a 1.01E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32035
PNG
(MLS000080234 | SMR000040438 | cid_659413)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
Show InChI InChI=1S/C19H12N2O3/c22-18-12-5-1-2-6-13(12)19-17-15(21-24-19)8-7-14(16(17)18)20-10-11-4-3-9-23-11/h1-9,20H,10H2
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n/an/an/an/a 1.02E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32327
PNG
(4-amino-6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)qu...)
Show SMILES COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC
Show InChI InChI=1S/C17H24N4O3S/c1-22-14-10-12-13(11-15(14)23-2)19-17(25)21(16(12)18)5-3-4-20-6-8-24-9-7-20/h10-11H,3-9,18H2,1-2H3
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n/an/an/an/a 1.09E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32322
PNG
(2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin...)
Show SMILES O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1
Show InChI InChI=1S/C15H11N7OS2/c23-12(18-15-17-7-8-24-15)9-25-13-5-4-11-19-20-14(22(11)21-13)10-3-1-2-6-16-10/h1-8H,9H2,(H,17,18,23)
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n/an/an/an/a 1.13E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32289
PNG
(2-[(1-prop-2-ynyl-3-indolyl)methylidene]indene-1,3...)
Show SMILES O=C1C(=Cc2cn(CC#C)c3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C21H13NO2/c1-2-11-22-13-14(15-7-5-6-10-19(15)22)12-18-20(23)16-8-3-4-9-17(16)21(18)24/h1,3-10,12-13H,11H2
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n/an/an/an/a 1.17E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32263
PNG
(3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H...)
Show SMILES Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N6S/c1-13-11-17(22-21-13)19-23-24-20-26(19)25-18(12-27-20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22)
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n/an/an/an/a 1.17E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32309
PNG
(6-(2,4-dimethoxyphenyl)benzo[d][2]benzazepine-5,7-...)
Show SMILES COc1ccc(c(OC)c1)-n1c(=O)c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C22H17NO4/c1-26-14-11-12-19(20(13-14)27-2)23-21(24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(23)25/h3-13H,1-2H3
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n/an/an/an/a 1.28E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32320
PNG
(MLS000766035 | SMR000279741 | cid_776370)
Show SMILES O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23
Show InChI InChI=1S/C18H14N2O2/c21-17-11-5-1-2-6-12(11)18-15-13(19-22-18)7-8-14(16(15)17)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2
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n/an/an/an/a 1.31E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32286
PNG
(4-(4-carbomethoxyanilino)quinazoline-2-carboxylic ...)
Show SMILES CCOC(=O)c1nc(Nc2ccc(cc2)C(=O)OC)c2ccccc2n1
Show InChI InChI=1S/C19H17N3O4/c1-3-26-19(24)17-21-15-7-5-4-6-14(15)16(22-17)20-13-10-8-12(9-11-13)18(23)25-2/h4-11H,3H2,1-2H3,(H,20,21,22)
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n/an/an/an/a 1.36E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32293
PNG
(9-Hydroxy-5H-5,8,12a-triaza-benzo[c]phenanthrene-6...)
Show SMILES Oc1cccn2c1nc(=O)c1c2c2ccccc2[nH]c1=O
Show InChI InChI=1S/C15H9N3O3/c19-10-6-3-7-18-12-8-4-1-2-5-9(8)16-14(20)11(12)15(21)17-13(10)18/h1-7,19H,(H,16,20)
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n/an/an/an/a 1.37E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32260
PNG
(6-(4-ethoxyphenyl)-3-(2-pyridinyl)-7H-[1,2,4]triaz...)
Show SMILES CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccn1
Show InChI InChI=1S/C17H15N5OS/c1-2-23-13-8-6-12(7-9-13)15-11-24-17-20-19-16(22(17)21-15)14-5-3-4-10-18-14/h3-10H,2,11H2,1H3
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n/an/an/an/a 1.43E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32275
PNG
((4-Chloro-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-py...)
Show SMILES Clc1nc(NCc2cccnc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C13H15ClN6O/c14-11-17-12(16-9-10-2-1-3-15-8-10)19-13(18-11)20-4-6-21-7-5-20/h1-3,8H,4-7,9H2,(H,16,17,18,19)
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n/an/an/an/a 1.52E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32314
PNG
(2-[4-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)prop...)
Show SMILES OCCN1CCN(CCCc2c3CCCc3cc3CCCc23)CC1
Show InChI InChI=1S/C21H32N2O/c24-15-14-23-12-10-22(11-13-23)9-3-8-21-19-6-1-4-17(19)16-18-5-2-7-20(18)21/h16,24H,1-15H2
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n/an/an/an/a 1.62E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
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