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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Dynein heavy chain' AND taxid = 10116   
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
Dynein heavy chain


(Rattus norvegicus)
BDBM50184425
PNG
(CHEMBL206161 | Purealin)
Show SMILES COC1=C(Br)[C@@H](O)[C@@]2(CC(=NO2)C(=O)NCCCOc2c(Br)cc(CC(N=O)C(=O)NCCc3cnc(N)[nH]3)cc2Br)C=C1Br
Show InChI InChI=1S/C27H29Br4N7O7/c1-43-22-17(30)10-27(23(39)20(22)31)11-19(38-45-27)25(41)33-4-2-6-44-21-15(28)7-13(8-16(21)29)9-18(37-42)24(40)34-5-3-14-12-35-26(32)36-14/h7-8,10,12,18,23,39H,2-6,9,11H2,1H3,(H,33,41)(H,34,40)(H3,32,35,36)/t18?,23-,27+/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated ATPase activity of rat cytoplasmic dynein heavy chain motor domain


Citation and Details
More data for this
Ligand-Target Pair
Dynein heavy chain


(Rattus norvegicus)
BDBM50117089
PNG
(CHEMBL204484 | CHEMBL83995 | N-[2-(2-Amino-3H-imid...)
Show SMILES NCCCOc1c(Br)cc(CC(N=O)C(=O)NCCc2cnc(N)[nH]2)cc1Br
Show InChI InChI=1S/C17H22Br2N6O3/c18-12-6-10(7-13(19)15(12)28-5-1-3-20)8-14(25-27)16(26)22-4-2-11-9-23-17(21)24-11/h6-7,9,14H,1-5,8,20H2,(H,22,26)(H3,21,23,24)
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated ATPase activity of rat cytoplasmic dynein heavy chain motor domain


Citation and Details
More data for this
Ligand-Target Pair
Dynein heavy chain


(Rattus norvegicus)
BDBM50184427
PNG
(CHEMBL206373 | Lipopurealin A)
Show SMILES CCCCCCCCCCCCCC(=O)NCCCOc1c(Br)cc(CC(N=O)C(=O)NCCc2cnc(N)[nH]2)cc1Br
Show InChI InChI=1S/C31H48Br2N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-28(40)35-16-13-18-43-29-25(32)19-23(20-26(29)33)21-27(39-42)30(41)36-17-15-24-22-37-31(34)38-24/h19-20,22,27H,2-18,21H2,1H3,(H,35,40)(H,36,41)(H3,34,37,38)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated ATPase activity of rat cytoplasmic dynein heavy chain motor domain


Citation and Details
More data for this
Ligand-Target Pair
Dynein heavy chain


(Rattus norvegicus)
BDBM50184424
PNG
(3-[2-(3-aminopropoxy)-3,5-dichlorophenyl]-2-hydrox...)
Show SMILES NCCCOc1c(Cl)cc(Cl)cc1CC(N=O)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C22H24Cl2N4O3/c23-16-10-15(21(18(24)12-16)31-9-3-7-25)11-20(28-30)22(29)26-8-6-14-13-27-19-5-2-1-4-17(14)19/h1-2,4-5,10,12-13,20,27H,3,6-9,11,25H2,(H,26,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated ATPase activity of rat cytoplasmic dynein heavy chain motor domain


Citation and Details
More data for this
Ligand-Target Pair
Dynein heavy chain


(Rattus norvegicus)
BDBM50184426
PNG
(3-[4-(3-aminopropoxy)-3-bromophenyl]-N-[2-(4-chlor...)
Show SMILES NCCCOc1ccc(CC(N=O)C(=O)NCCc2ccc(Cl)cc2)cc1Br
Show InChI InChI=1S/C20H23BrClN3O3/c21-17-12-15(4-7-19(17)28-11-1-9-23)13-18(25-27)20(26)24-10-8-14-2-5-16(22)6-3-14/h2-7,12,18H,1,8-11,13,23H2,(H,24,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated ATPase activity of rat cytoplasmic dynein heavy chain motor domain


Citation and Details
More data for this
Ligand-Target Pair
Dynein heavy chain


(Rattus norvegicus)
BDBM50184421
PNG
(3-[4-(3-aminopropoxy)-3-bromophenyl]-2-hydroxyimin...)
Show SMILES NCCCOc1ccc(CC(N=O)C(=O)NCCc2c[nH]c3ccccc23)cc1Br
Show InChI InChI=1S/C22H25BrN4O3/c23-18-12-15(6-7-21(18)30-11-3-9-24)13-20(27-29)22(28)25-10-8-16-14-26-19-5-2-1-4-17(16)19/h1-2,4-7,12,14,20,26H,3,8-11,13,24H2,(H,25,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated ATPase activity of rat cytoplasmic dynein heavy chain motor domain


Citation and Details
More data for this
Ligand-Target Pair
Dynein heavy chain


(Rattus norvegicus)
BDBM50184420
PNG
(3-[2-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxy...)
Show SMILES NCCCOc1c(Br)cc(Br)cc1CC(N=O)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C22H24Br2N4O3/c23-16-10-15(21(18(24)12-16)31-9-3-7-25)11-20(28-30)22(29)26-8-6-14-13-27-19-5-2-1-4-17(14)19/h1-2,4-5,10,12-13,20,27H,3,6-9,11,25H2,(H,26,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated ATPase activity of rat cytoplasmic dynein heavy chain motor domain


Citation and Details
More data for this
Ligand-Target Pair
Dynein heavy chain


(Rattus norvegicus)
BDBM50184423
PNG
(3-[2-(3-aminopropoxy)-3,5-dibromophenyl]-N-[2-(4-c...)
Show SMILES NCCCOc1c(Br)cc(Br)cc1CC(N=O)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H22Br2ClN3O3/c21-15-10-14(19(17(22)12-15)29-9-1-7-24)11-18(26-28)20(27)25-8-6-13-2-4-16(23)5-3-13/h2-5,10,12,18H,1,6-9,11,24H2,(H,25,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated ATPase activity of rat cytoplasmic dynein heavy chain motor domain


Citation and Details
More data for this
Ligand-Target Pair