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PubChem AID 1380

Compile data set for download or QSAR
Found 18 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
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32348
PNG
(6-(2-methyl-2,3-dihydro-1H-indol-1-yl)-5-nitro-4-p...)
Show SMILES CC1Cc2ccccc2N1c1ncnc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C13H13N5O2/c1-8-6-9-4-2-3-5-10(9)17(8)13-11(18(19)20)12(14)15-7-16-13/h2-5,7-8H,6H2,1H3,(H2,14,15,16)
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n/an/a 8.22E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32344
PNG
(MLS000723809 | N-(4-nitrophenyl)-9-acridinamine | ...)
Show SMILES [O-][N+](=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C19H13N3O2/c23-22(24)14-11-9-13(10-12-14)20-19-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)19/h1-12H,(H,20,21)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32351
PNG
(1-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]...)
Show SMILES O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)c1ccccc1
Show InChI InChI=1S/C18H13N5OS/c24-15(13-5-2-1-3-6-13)12-25-17-9-8-16-20-21-18(23(16)22-17)14-7-4-10-19-11-14/h1-11H,12H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32353
PNG
(3-(2,5-dichlorophenyl)-1,3-thiazolan-4-one | 3-(2,...)
Show SMILES Clc1ccc(Cl)c(c1)N1CSCC1=O
Show InChI InChI=1S/C9H7Cl2NOS/c10-6-1-2-7(11)8(3-6)12-5-14-4-9(12)13/h1-3H,4-5H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32349
PNG
(MLS000688854 | N'-(2-furanylmethyl)-N-(5-methyl-3-...)
Show SMILES Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C(=O)NCC2CCCO2)c2ccncc2)no1
Show InChI InChI=1S/C25H29N5O6/c1-17-14-21(29-36-17)28-22(31)6-7-23(32)30(16-20-5-3-13-35-20)24(18-8-10-26-11-9-18)25(33)27-15-19-4-2-12-34-19/h3,5,8-11,13-14,19,24H,2,4,6-7,12,15-16H2,1H3,(H,27,33)(H,28,29,31)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32358
PNG
(2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-...)
Show SMILES Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H22ClN3O6S/c1-23-9-5-6-17(23)19(26)22-18(25)13-30-20(27)15-12-14(7-8-16(15)21)31(28,29)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11,13H2,1H3,(H,22,25,26)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32350
PNG
(MLS000708313 | N-(2-pyrrolidin-1-ylcarbonylphenyl)...)
Show SMILES O=C(Nc1ccccc1C(=O)N1CCCC1)C1COc2ccccc2O1
Show InChI InChI=1S/C20H20N2O4/c23-19(18-13-25-16-9-3-4-10-17(16)26-18)21-15-8-2-1-7-14(15)20(24)22-11-5-6-12-22/h1-4,7-10,18H,5-6,11-13H2,(H,21,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32345
PNG
(MLS000391610 | N'-(2-benzo[cd]indolyl)-4-bromobenz...)
Show SMILES Brc1ccc(cc1)C(=O)NNC1=Nc2cccc3cccc1c23 |t:12|
Show InChI InChI=1S/C18H12BrN3O/c19-13-9-7-12(8-10-13)18(23)22-21-17-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,20,21)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32356
PNG
(2-amino-6-chloro-4-methyl-3,5-pyridinedicarbonitri...)
Show SMILES Cc1c(C#N)c(N)nc(Cl)c1C#N
Show InChI InChI=1S/C8H5ClN4/c1-4-5(2-10)7(9)13-8(12)6(4)3-11/h1H3,(H2,12,13)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32359
PNG
(MLS000772778 | N-(2-naphthalenyl)-2-(pyridin-4-ylt...)
Show SMILES O=C(CSc1ccncc1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H14N2OS/c20-17(12-21-16-7-9-18-10-8-16)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-11H,12H2,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32360
PNG
((3,5-dichloro-2-pyridyl)-[1-(2-pyridyl)ethylidenea...)
Show SMILES CC(N=Nc1ncc(Cl)cc1Cl)c1ccccn1 |w:3.3|
Show InChI InChI=1S/C12H10Cl2N4/c1-8(11-4-2-3-5-15-11)17-18-12-10(14)6-9(13)7-16-12/h2-8H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32352
PNG
(2-(3-besylpropanoylimino)-3,4-dimethyl-4-thiazolin...)
Show SMILES CCOC(=O)c1sc(=NC(=O)CCS(=O)(=O)c2ccccc2)n(C)c1C |w:8.8|
Show InChI InChI=1S/C17H20N2O5S2/c1-4-24-16(21)15-12(2)19(3)17(25-15)18-14(20)10-11-26(22,23)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32357
PNG
(2-(2-furoyl)-N-p-anisyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES COc1ccc(CNC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)cc1
Show InChI InChI=1S/C23H22N2O4/c1-28-19-10-8-16(9-11-19)14-24-22(26)20-13-17-5-2-3-6-18(17)15-25(20)23(27)21-7-4-12-29-21/h2-12,20H,13-15H2,1H3,(H,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32347
PNG
(MLS000674332 | N-(4-fluorobenzyl)-2-(methylthio)be...)
Show SMILES CSc1ccccc1C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C15H14FNOS/c1-19-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3,(H,17,18)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32354
PNG
(4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylic ac...)
Show SMILES OC(=O)c1cc(c[nH]1)C(=O)C1CCCCC1
Show InChI InChI=1S/C12H15NO3/c14-11(8-4-2-1-3-5-8)9-6-10(12(15)16)13-7-9/h6-8,13H,1-5H2,(H,15,16)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32355
PNG
(MLS000730065 | N-cyclopentyl-2,4-diketo-3-p-anisyl...)
Show SMILES COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C22H23N3O4/c1-29-17-9-6-14(7-10-17)13-25-21(27)18-11-8-15(12-19(18)24-22(25)28)20(26)23-16-4-2-3-5-16/h6-12,16H,2-5,13H2,1H3,(H,23,26)(H,24,28)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32346
PNG
(2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cycloh...)
Show SMILES [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1sc2CCCCCc2c1C(=O)OC |TLB:12:7:6:3.2,THB:9:8:6:3.2|
Show InChI InChI=1S/C20H25NO5S/c1-26-20(25)16-12-5-3-2-4-6-13(12)27-18(16)21-17(22)14-10-7-8-11(9-10)15(14)19(23)24/h10-11,14-15H,2-9H2,1H3,(H,21,22)(H,23,24)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM32361
PNG
(2-[4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]buty...)
Show SMILES CCCc1cc(=O)[nH]c(SCCCCN2C(=O)c3ccccc3C2=O)n1
Show InChI InChI=1S/C19H21N3O3S/c1-2-7-13-12-16(23)21-19(20-13)26-11-6-5-10-22-17(24)14-8-3-4-9-15(14)18(22)25/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,20,21,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%