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PubChem AID 1329

Compile data set for download or QSAR
Found 65 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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 |t:11|
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 2.94E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 1.47E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32288
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-(4-pyrid...)
Show SMILES CN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
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 2.74E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM43203
PNG
(2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl...)
Show SMILES Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 |w:6.6|
Show InChI InChI=1S/C22H18ClN5O2S/c1-15-7-12-19(30-15)13-24-25-20(29)14-31-22-27-26-21(16-8-10-17(23)11-9-16)28(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,29)
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n/an/an/an/a 5.71E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 8.97E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 6.00E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33133
PNG
(3-(4-methylphenyl)-5-(4-morpholinyl)-2-phenyl-1,2,...)
Show SMILES Cc1ccc(cc1)-c1nc([s+]n1-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H20N3OS/c1-15-7-9-16(10-8-15)18-20-19(21-11-13-23-14-12-21)24-22(18)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3/q+1
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n/an/an/an/a 2.04E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33157
PNG
(MLS000687602 | SMR000283375 | [2,3-bis(2-furanyl)-...)
Show SMILES O=C(c1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H14N2O3/c26-23(15-6-2-1-3-7-15)16-10-11-17-18(14-16)25-22(20-9-5-13-28-20)21(24-17)19-8-4-12-27-19/h1-14H
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n/an/an/an/a 4.55E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32324
PNG
(6-(2-methoxy-5-methyl-phenyl)benzo[d][2]benzazepin...)
Show SMILES COc1ccc(C)cc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(12.9,.63,;11.36,.51,;10.49,1.79,;11.16,3.17,;10.29,4.44,;8.76,4.33,;7.89,5.6,;8.09,2.94,;8.96,1.67,;8.29,.28,;9.25,-.92,;10.75,-.58,;8.91,-2.42,;10.25,-3.31,;10.14,-4.91,;8.69,-5.6,;7.38,-4.69,;7.52,-3.09,;6.13,-2.42,;4.97,-3.53,;3.44,-3.07,;3.08,-1.51,;4.26,-.43,;5.79,-.92,;6.75,.28,;6.08,1.67,)|
Show InChI InChI=1S/C22H17NO3/c1-14-11-12-20(26-2)19(13-14)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 1.60E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 6.14E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32263
PNG
(3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H...)
Show SMILES Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1 |c:13|
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 9.39E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33057
PNG
(6-methyl-2-(1-naphthalenyl)-5-benzotriazolamine | ...)
Show SMILES Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12
Show InChI InChI=1S/C17H14N4/c1-11-9-15-16(10-14(11)18)20-21(19-15)17-8-4-6-12-5-2-3-7-13(12)17/h2-10H,18H2,1H3
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n/an/an/an/a 1.75E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 3.12E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32295
PNG
((5Z)-3-ethyl-5-[(2E)-2-(1-ethyl-4-quinolinylidene)...)
Show SMILES CCN1C(=S)S\C(=C/C=C2\C=CN(CC)c3ccccc23)C1=O |c:10|
Show InChI InChI=1S/C18H18N2OS2/c1-3-19-12-11-13(14-7-5-6-8-15(14)19)9-10-16-17(21)20(4-2)18(22)23-16/h5-12H,3-4H2,1-2H3/b13-9+,16-10-
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n/an/an/an/a 1.58E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 5.86E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33171
PNG
(2-(4-fluorophenyl)-1H-perimidine | MLS000687139 | ...)
Show SMILES Fc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C17H11FN2/c18-13-9-7-12(8-10-13)17-19-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,19,20)
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n/an/an/an/a 1.05E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 1.18E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM43204
PNG
(1-(2-cyano-4,5-dimethoxy-phenyl)-3-(2-methoxyethyl...)
Show SMILES COCCNC(=S)Nc1cc(OC)c(OC)cc1C#N
Show InChI InChI=1S/C13H17N3O3S/c1-17-5-4-15-13(20)16-10-7-12(19-3)11(18-2)6-9(10)8-14/h6-7H,4-5H2,1-3H3,(H2,15,16,20)
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n/an/an/an/a 7.11E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 1.90E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/an/an/a 3.96E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33066
PNG
(2,5-bis(chloranyl)-3-[2-(dimethylamino)-1,3-thiazo...)
Show SMILES CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
Show InChI InChI=1S/C15H15Cl2N3O2S/c1-19(2)15-18-7-8(23-15)9-10(16)14(22)12(11(17)13(9)21)20-5-3-4-6-20/h7H,3-6H2,1-2H3
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n/an/an/an/a 3.71E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 2.61E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 2.54E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 |c:8,t:26|
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 700n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 |w:2.1,t:13|
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 5.53E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32299
PNG
(2-[(2Z)-2-[(2E)-2-[[3-(2-hydroxyethyl)-5-methoxy-1...)
Show SMILES CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
Show InChI InChI=1S/C25H29N2O4S2/c1-4-17(13-24-26(9-11-28)20-15-18(30-2)5-7-22(20)32-24)14-25-27(10-12-29)21-16-19(31-3)6-8-23(21)33-25/h5-8,13-16,28-29H,4,9-12H2,1-3H3/q+1
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n/an/an/an/a 1.93E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32307
PNG
(4-chloro-3-nitro-benzoic acid [4-keto-6-[[(4-methy...)
Show SMILES Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
Show InChI InChI=1S/C18H12ClN3O6S/c1-10-4-5-20-18(21-10)29-9-12-7-15(23)16(8-27-12)28-17(24)11-2-3-13(19)14(6-11)22(25)26/h2-8H,9H2,1H3
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n/an/an/an/a 3.95E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33136
PNG
(4-bromanyl-2-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-...)
Show SMILES CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OCC)cc2)c1=O
Show InChI InChI=1S/C20H20BrNO3/c1-3-22-18-11-8-15(21)13-17(20(18)24)19(23)12-7-14-5-9-16(10-6-14)25-4-2/h5-13H,3-4H2,1-2H3,(H,22,24)/b12-7+
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n/an/an/an/a 2.42E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 9.29E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 360n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM29643
PNG
((6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1
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n/an/an/an/a 3.86E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33087
PNG
(2,3-bis(2-furanyl)-N-(phenylmethyl)-6-quinoxalinec...)
Show SMILES O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C24H17N3O3/c28-24(25-15-16-6-2-1-3-7-16)17-10-11-18-19(14-17)27-23(21-9-5-13-30-21)22(26-18)20-8-4-12-29-20/h1-14H,15H2,(H,25,28)
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n/an/an/an/a 7.82E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32285
PNG
((4E)-2-methoxy-4-[([1,2,4]triazolo[3,4-a]phthalazi...)
Show SMILES COc1cc(CN=Nc2nn3cnnc3c3ccccc23)ccc1O |w:7.7|
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 5.05E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32301
PNG
((1E,2E)-3-phenylacrylaldehyde (1,1-dioxido-1,2-ben...)
Show SMILES OCCN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:15|
Show InChI InChI=1S/C18H17N3O3S/c22-14-13-21(19-12-6-9-15-7-2-1-3-8-15)18-16-10-4-5-11-17(16)25(23,24)20-18/h1-12,22H,13-14H2/b9-6+,19-12?
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n/an/an/an/a 2.09E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 2.07E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33134
PNG
(4-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)morphol...)
Show SMILES C1CN(CCO1)c1nc(-c2ccccc2)n([s+]1)-c1ccccc1
Show InChI InChI=1S/C18H18N3OS/c1-3-7-15(8-4-1)17-19-18(20-11-13-22-14-12-20)23-21(17)16-9-5-2-6-10-16/h1-10H,11-14H2/q+1
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n/an/an/an/a 9.74E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33141
PNG
(5-bromanyl-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
Show InChI InChI=1S/C17H13BrO4/c1-22-13-6-2-11(3-7-13)4-8-15(19)14-10-12(18)5-9-16(20)17(14)21/h2-10H,1H3,(H,20,21)/b8-4+
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n/an/an/an/a 3.32E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32317
PNG
(2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N'-[(...)
Show SMILES COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12 |w:13.12|
Show InChI InChI=1S/C20H19N3O4S/c1-12-8-18(15-4-3-5-17(27-2)20(15)22-12)28-11-19(26)23-21-10-13-6-7-14(24)9-16(13)25/h3-10,24-25H,11H2,1-2H3,(H,23,26)
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n/an/an/an/a 2.90E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 1.74E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32313
PNG
(3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...)
Show SMILES Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C16H11ClO3/c17-13-7-3-1-5-11(13)9-10-14(18)12-6-2-4-8-15(19)16(12)20/h1-10H,(H,19,20)/b10-9+
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n/an/an/an/a 1.94E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32330
PNG
((2Z)-2-(5-fluoranyl-2-oxidanylidene-indol-3-yl)-2-...)
Show SMILES Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12 |w:9.20|
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 3.83E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 4.54E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32273
PNG
(2,8-dimethyl-5,6-dihydrodipyrrolo[1,2-b:1',2'-e]py...)
Show SMILES Cc1cc2-c3ccc(C)n3CCn2c1
Show InChI InChI=1S/C12H14N2/c1-9-7-12-11-4-3-10(2)14(11)6-5-13(12)8-9/h3-4,7-8H,5-6H2,1-2H3
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n/an/an/an/a 2.10E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 1.04E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32289
PNG
(2-[(1-prop-2-ynyl-3-indolyl)methylidene]indene-1,3...)
Show SMILES O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12
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 1.63E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32291
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-(3-pyrid...)
Show SMILES CN(N=Cc1cccnc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
Show InChI InChI=1S/C14H12N4O2S/c1-18(16-10-11-5-4-8-15-9-11)14-12-6-2-3-7-13(12)21(19,20)17-14/h2-10H,1H3
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n/an/an/an/a 2.06E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32297
PNG
(MLS000553768 | N-(2-furanylmethyl)-N-[2-[[(E)-(3-m...)
Show SMILES COc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O |w:6.6|
Show InChI InChI=1S/C21H21N3O6S/c1-29-20-12-16(9-10-19(20)25)13-22-23-21(26)15-24(14-17-6-5-11-30-17)31(27,28)18-7-3-2-4-8-18/h2-13,25H,14-15H2,1H3,(H,23,26)
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n/an/an/an/a 1.14E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 1.32E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32304
PNG
(6-(2,5-dimethoxyphenyl)benzo[d][2]benzazepine-5,7-...)
Show SMILES COc1ccc(OC)c(c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(8.56,6.3,;7.89,4.91,;8.76,3.64,;10.29,3.75,;11.16,2.48,;10.49,1.09,;11.36,-.18,;12.9,-.07,;8.96,.98,;8.09,2.25,;8.29,-.41,;9.25,-1.62,;10.75,-1.27,;8.91,-3.12,;10.25,-4,;10.14,-5.6,;8.69,-6.3,;7.38,-5.38,;7.52,-3.78,;6.13,-3.12,;4.97,-4.23,;3.44,-3.76,;3.08,-2.2,;4.26,-1.12,;5.79,-1.62,;6.75,-.41,;6.08,.98,)|
Show InChI InChI=1S/C22H17NO4/c1-26-14-11-12-20(27-2)19(13-14)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 1.67E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33155
PNG
(MLS000666146 | N-(2,3-di-2-furyl-6-quinoxalinyl)-4...)
Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C26H22N6O3/c33-26(32-13-11-31(12-14-32)23-7-1-2-10-27-23)28-18-8-9-19-20(17-18)30-25(22-6-4-16-35-22)24(29-19)21-5-3-15-34-21/h1-10,15-17H,11-14H2,(H,28,33)
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n/an/an/an/a 1.09E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 5.76E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32259
PNG
(4-(6-methyl-5-imidazo[2,1-b]thiazolyl)-N-(4-methyl...)
Show SMILES Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
Show InChI InChI=1S/C15H13N5S2/c1-9-3-4-16-12(7-9)19-14-18-11(8-22-14)13-10(2)17-15-20(13)5-6-21-15/h3-8H,1-2H3,(H,16,18,19)
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n/an/an/an/a 1.67E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 1.69E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33075
PNG
(2,3-bis(2-furanyl)-N-[3-(trifluoromethyl)phenyl]-6...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
Show InChI InChI=1S/C24H14F3N3O3/c25-24(26,27)15-4-1-5-16(13-15)28-23(31)14-8-9-17-18(12-14)30-22(20-7-3-11-33-20)21(29-17)19-6-2-10-32-19/h1-13H,(H,28,31)
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n/an/an/an/a 1.26E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 1.22E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 4.52E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 1.85E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 2.14E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM33123
PNG
(MLS000587395 | N-[(2-benzoxy-5-bromo-benzylidene)a...)
Show SMILES Cc1cccc(OCC(=O)NCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 |w:15.14|
Show InChI InChI=1S/C25H24BrN3O4/c1-18-6-5-9-22(12-18)32-17-25(31)27-15-24(30)29-28-14-20-13-21(26)10-11-23(20)33-16-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,27,31)(H,29,30)
PDB
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KEGG

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n/an/an/an/a 7.78E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 5.92E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32309
PNG
(6-(2,4-dimethoxyphenyl)benzo[d][2]benzazepine-5,7-...)
Show SMILES COc1ccc(c(OC)c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(10.09,6.35,;10.96,5.08,;10.29,3.69,;8.76,3.58,;8.09,2.19,;8.96,.92,;10.49,1.03,;11.36,-.24,;12.9,-.12,;11.16,2.42,;8.29,-.47,;9.25,-1.67,;10.75,-1.33,;8.91,-3.17,;10.25,-4.06,;10.14,-5.66,;8.69,-6.35,;7.38,-5.44,;7.52,-3.84,;6.13,-3.17,;4.97,-4.28,;3.44,-3.82,;3.08,-2.26,;4.26,-1.18,;5.79,-1.67,;6.75,-.47,;6.08,.92,)|
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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KEGG

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n/an/an/an/a 2.69E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 6.97E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		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 1.12E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM32329
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
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KEGG

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n/an/an/an/a 4.12E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2697202
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%