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Compile Data Set for Download or QSAR

Found 38 hits of ec50 data for polymerid = 805   
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
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43766
PNG
(5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1
Show InChI InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
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n/an/an/an/a>1.84E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM41593
PNG
((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...)
Show SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1
Show InChI InChI=1S/C16H14Cl2N2O3S/c1-23-13-8-7-12(9-19-13)20-16(21)14(17)15(18)24(22)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43375
PNG
((2E)-2-(1-cyano-2,2,2-trifluoro-ethylidene)-5-phen...)
Show SMILES CCOC(=O)C1=C(O\C(S1)=C(\C#N)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C15H10F3NO3S/c1-2-21-13(20)12-11(9-6-4-3-5-7-9)22-14(23-12)10(8-19)15(16,17)18/h3-7H,2H2,1H3/b14-10+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM36923
PNG
((Z)-3,4-bis(benzenesulfonyl)-2-buten-1-ol | (Z)-3,...)
Show SMILES OC\C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16O5S2/c17-12-11-16(23(20,21)15-9-5-2-6-10-15)13-22(18,19)14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43776
PNG
((5Z)-2-anilino-5-[(1-methyl-2-pyrrolyl)methylidene...)
Show SMILES Cn1cccc1C=C1SC(Nc2ccccc2)=NC1=O
Show InChI InChI=1S/C15H13N3OS/c1-18-9-5-8-12(18)10-13-14(19)17-15(20-13)16-11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM38993
PNG
((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Show SMILES CCCCS(=O)(=O)\C=C/C=C\S(=O)(=O)CCCC
Show InChI InChI=1S/C12H22O4S2/c1-3-5-9-17(13,14)11-7-8-12-18(15,16)10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b11-7-,12-8-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM36838
PNG
(1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benz...)
Show SMILES C=CS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)C=C)cc1
Show InChI InChI=1S/C16H14O5S2/c1-3-22(17,18)15-9-5-13(6-10-15)21-14-7-11-16(12-8-14)23(19,20)4-2/h3-12H,1-2H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM41591
PNG
((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...)
Show SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1
Show InChI InChI=1S/C17H16Cl2N2O3S/c1-11-3-5-12(6-4-11)10-25(23)16(19)15(18)17(22)21-13-7-8-14(24-2)20-9-13/h3-9H,10H2,1-2H3,(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43757
PNG
(2-furanyl-(8-methyl-2-sulfanylidene-[1,2,4]triazol...)
Show SMILES Cc1cccn2n(C(=O)c3ccco3)c(=S)nc12
Show InChI InChI=1S/C12H9N3O2S/c1-8-4-2-6-14-10(8)13-12(18)15(14)11(16)9-5-3-7-17-9/h2-7H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43758
PNG
(1-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-4-pip...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C17H21NO4/c1-21-15-6-3-13(4-7-15)5-8-16(19)18-11-9-14(10-12-18)17(20)22-2/h3-8,14H,9-12H2,1-2H3/b8-5+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43759
PNG
(MLS000520448 | N-(2-thenyl)-3-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)C1=NOC(C1)C(=O)NCc1cccs1
Show InChI InChI=1S/C18H20N2O5S/c1-22-14-7-11(8-15(23-2)17(14)24-3)13-9-16(25-20-13)18(21)19-10-12-5-4-6-26-12/h4-8,16H,9-10H2,1-3H3,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43760
PNG
(MLS000565334 | N'-(5-bromanyl-2-oxidanylidene-indo...)
Show SMILES Brc1ccc2=NC(=O)C(NNC(=O)c3ccccc3-n3cccc3)=c2c1
Show InChI InChI=1S/C19H13BrN4O2/c20-12-7-8-15-14(11-12)17(19(26)21-15)22-23-18(25)13-5-1-2-6-16(13)24-9-3-4-10-24/h1-11H,(H,23,25)(H,21,22,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43761
PNG
(2-methoxy-5-[2-(2-naphthoyl)carbohydrazonoyl]pheny...)
Show SMILES COc1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C27H23N3O6S/c1-18(31)29-23-10-12-24(13-11-23)37(33,34)36-26-15-19(7-14-25(26)35-2)17-28-30-27(32)22-9-8-20-5-3-4-6-21(20)16-22/h3-17H,1-2H3,(H,29,31)(H,30,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43778
PNG
(2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrim...)
Show SMILES Cc1csc2sc(c(C)c12)-c1ccnc(SCC(=O)NCc2ccccc2)n1
Show InChI InChI=1S/C21H19N3OS3/c1-13-11-26-20-18(13)14(2)19(28-20)16-8-9-22-21(24-16)27-12-17(25)23-10-15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3,(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43763
PNG
(4,5-Dimethoxy-1H-indole-2-carboxylic acid [1-(2,3-...)
Show SMILES COc1cccc(C=NNC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)c1OC
Show InChI InChI=1S/C20H21N3O5/c1-25-16-7-5-6-12(18(16)27-3)11-21-23-20(24)15-10-13-14(22-15)8-9-17(26-2)19(13)28-4/h5-11,22H,1-4H3,(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43764
PNG
(MLS000576144 | N'-[4-(diethylamino)benzylidene...)
Show SMILES CCN(CC)c1ccc(C=NNC(=O)c2ccco2)cc1
Show InChI InChI=1S/C16H19N3O2/c1-3-19(4-2)14-9-7-13(8-10-14)12-17-18-16(20)15-6-5-11-21-15/h5-12H,3-4H2,1-2H3,(H,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43765
PNG
(MLS000583103 | N-(2-furanylmethyl)-6-propyl-3-benz...)
Show SMILES CCCC1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1ccco1
Show InChI InChI=1S/C22H20N2O2S/c1-2-6-18-17-8-3-4-9-20(17)27-21-11-10-15(13-19(21)24-18)22(25)23-14-16-7-5-12-26-16/h3-5,7-13H,2,6,14H2,1H3,(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43767
PNG
(2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-fluorobenzyl)a...)
Show SMILES Fc1ccc(CNC(=O)COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H17F2NO3/c23-18-7-1-15(2-8-18)13-25-21(26)14-28-20-11-5-17(6-12-20)22(27)16-3-9-19(24)10-4-16/h1-12H,13-14H2,(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43768
PNG
(1-(3,4-Dichloro-phenyl)-3-thiazol-2-yl-urea | 1-(3...)
Show SMILES Clc1ccc(NC(=O)Nc2nccs2)cc1Cl
Show InChI InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(5-8(7)12)14-9(16)15-10-13-3-4-17-10/h1-5H,(H2,13,14,15,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43769
PNG
(3-[[4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiaz...)
Show SMILES Cc1nc2ccccn2c1-c1csc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H14N4OS/c1-11-16(21-8-3-2-7-15(21)18-11)14-10-23-17(20-14)19-12-5-4-6-13(22)9-12/h2-10,22H,1H3,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43728
PNG
((E)-N-(5-chloranylpyridin-2-yl)-3-phenyl-prop-2-en...)
Show SMILES Clc1ccc(NC(=O)\C=C\c2ccccc2)nc1
Show InChI InChI=1S/C14H11ClN2O/c15-12-7-8-13(16-10-12)17-14(18)9-6-11-4-2-1-3-5-11/h1-10H,(H,16,17,18)/b9-6+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43770
PNG
((3Z)-3-(2-oxidanylidene-2-thiophen-2-yl-ethylidene...)
Show SMILES O=C(Cc1nc2ccccc2[nH]c1=O)c1cccs1
Show InChI InChI=1S/C14H10N2O2S/c17-12(13-6-3-7-19-13)8-11-14(18)16-10-5-2-1-4-9(10)15-11/h1-7H,8H2,(H,16,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43771
PNG
(MLS000711018 | N-[[4-(diethylamino)benzylidene]ami...)
Show SMILES CCN(CC)c1ccc(C=NNC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C16H19N5O/c1-3-21(4-2)14-7-5-13(6-8-14)11-19-20-16(22)15-12-17-9-10-18-15/h5-12H,3-4H2,1-2H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43772
PNG
(3-[(2-fluorobenzyl)thio]-6-(2-methoxyphenyl)pyrida...)
Show SMILES COc1ccccc1-c1ccc(SCc2ccccc2F)nn1
Show InChI InChI=1S/C18H15FN2OS/c1-22-17-9-5-3-7-14(17)16-10-11-18(21-20-16)23-12-13-6-2-4-8-15(13)19/h2-11H,12H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43773
PNG
(4-(diethylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzam...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C18H23N3O3S/c1-3-21(4-2)25(23,24)17-10-8-15(9-11-17)18(22)20-14-12-16-7-5-6-13-19-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43774
PNG
(MLS001017252 | N-[4-[(1,3-benzothiazol-2-ylhydrazi...)
Show SMILES CC(=O)Nc1ccc(CN=Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C16H14N4OS/c1-11(21)18-13-8-6-12(7-9-13)10-17-20-16-19-14-4-2-3-5-15(14)22-16/h2-9H,10H2,1H3,(H,18,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43775
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [1...)
Show SMILES Cc1ccc(C=NNC(=O)c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C15H14N2O3S/c1-10-2-4-12(21-10)9-16-17-15(18)11-3-5-13-14(8-11)20-7-6-19-13/h2-5,8-9H,6-7H2,1H3,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43477
PNG
(1,4-Pentadien-3-one, 1,5-di-3-pyridyl- | 1,5-bis(3...)
Show SMILES O=C(C=Cc1cccnc1)C=Cc1cccnc1
Show InChI InChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43777
PNG
(2-(4-Methoxy-phenyl)-5-(4-methoxy-phenylamino)-oxa...)
Show SMILES COc1ccc(Nc2oc(nc2C#N)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C18H15N3O3/c1-22-14-7-3-12(4-8-14)17-21-16(11-19)18(24-17)20-13-5-9-15(23-2)10-6-13/h3-10,20H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM25469
PNG
(2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-o...)
Show SMILES [O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12
Show InChI InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43756
PNG
(MLS000526502 | N-Cyclohexyl-2-[(3-ethoxy-phenyl)-(...)
Show SMILES CCOc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1cccn1C)C(=O)Cc1cccs1
Show InChI InChI=1S/C27H33N3O3S/c1-3-33-22-13-7-12-21(18-22)30(25(31)19-23-14-9-17-34-23)26(24-15-8-16-29(24)2)27(32)28-20-10-5-4-6-11-20/h7-9,12-18,20,26H,3-6,10-11,19H2,1-2H3,(H,28,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43755
PNG
(3-hydroxy-7-phenyl-pyrrolo[3,2-e][2,1,3]benzoxadia...)
Show SMILES On1onc2c1ccc1nc(cc21)-c1ccccc1
Show InChI InChI=1S/C14H9N3O2/c18-17-13-7-6-11-10(14(13)16-19-17)8-12(15-11)9-4-2-1-3-5-9/h1-8,18H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM40850
PNG
(7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,7-di...)
Show SMILES COc1cccc(c1)C1=Nc2nnnn2C(C1)c1cccc(OC)c1OC
Show InChI InChI=1S/C19H19N5O3/c1-25-13-7-4-6-12(10-13)15-11-16(24-19(20-15)21-22-23-24)14-8-5-9-17(26-2)18(14)27-3/h4-10,16H,11H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM38959
PNG
(4-(1-methyl-2-oxidanylidene-quinolin-4-yl)oxy-N-(4...)
Show SMILES Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1
Show InChI InChI=1S/C20H21N3O3/c1-14-9-10-21-18(12-14)22-19(24)8-5-11-26-17-13-20(25)23(2)16-7-4-3-6-15(16)17/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,21,22,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43754
PNG
(4-(2-p-phenetylquinoline-4-carbonyl)piperazine-1-c...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C25H27N3O4/c1-3-31-19-11-9-18(10-12-19)23-17-21(20-7-5-6-8-22(20)26-23)24(29)27-13-15-28(16-14-27)25(30)32-4-2/h5-12,17H,3-4,13-16H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM38931
PNG
(6-methyl-2-[3-methyl-5-(4-methylanilino)-1-pyrazol...)
Show SMILES Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C16H17N5O/c1-10-4-6-13(7-5-10)18-14-8-12(3)20-21(14)16-17-11(2)9-15(22)19-16/h4-9,18H,1-3H3,(H,17,19,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43753
PNG
(6-methyl-N-(phenylmethyl)-1H-benzimidazol-2-amine ...)
Show SMILES Cc1ccc2nc(NCc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C15H15N3/c1-11-7-8-13-14(9-11)18-15(17-13)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,16,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/cyclin B


(Homo sapiens (human))
BDBM43762
PNG
(1-(4-chloranyl-2-methyl-phenyl)-3-pyridin-2-yl-thi...)
Show SMILES Cc1cc(Cl)ccc1NC(=S)Nc1ccccn1
Show InChI InChI=1S/C13H12ClN3S/c1-9-8-10(14)5-6-11(9)16-13(18)17-12-4-2-3-7-15-12/h2-8H,1H3,(H2,15,16,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair