Found 157 hits with Last Name = 'sirtori' and Initial = 'fr' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279340
((Z)-2-[(Furan-2-ylmethyl)-amino]-5-[1-(1H-pyrrolo[...)Show SMILES O=C1N=C(NCc2ccco2)SC1=Cc1c[nH]c2ncccc12 |w:13.15,t:2| Show InChI InChI=1S/C16H12N4O2S/c21-15-13(7-10-8-18-14-12(10)4-1-5-17-14)23-16(20-15)19-9-11-3-2-6-22-11/h1-8H,9H2,(H,17,18)(H,19,20,21) | PDB
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PC sid
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279338
((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)Show SMILES O=C1N=C(NCc2ccccc2)SC1=Cc1c[nH]c2ncccc12 |w:14.16,t:2| Show InChI InChI=1S/C18H14N4OS/c23-17-15(9-13-11-20-16-14(13)7-4-8-19-16)24-18(22-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H,21,22,23) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279339
((Z)-2-Isopropylamino-5-[1-(1H-pyrrolo[2,3-b]pyridi...)Show SMILES CC(C)NC1=NC(=O)C(S1)=Cc1c[nH]c2ncccc12 |w:10.11,t:4| Show InChI InChI=1S/C14H14N4OS/c1-8(2)17-14-18-13(19)11(20-14)6-9-7-16-12-10(9)4-3-5-15-12/h3-8H,1-2H3,(H,15,16)(H,17,18,19) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279285
((Z)-2-(Isopropylamino)-5-(1H-pyrrolo[2,3-b]pyridin...)Show SMILES CC(C)NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:7.7,t:4| Show InChI InChI=1S/C14H15N5O/c1-8(2)17-14-18-11(13(20)19-14)6-9-7-16-12-10(9)4-3-5-15-12/h3-8H,1-2H3,(H,15,16)(H2,17,18,19,20) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279251
((Z)-2-[(4-Methylcyclohexyl)amino]-5-(1H-pyrrolo[2,...)Show SMILES CC1CCC(CC1)NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:11.12,t:9,(.42,-45.49,;.45,-43.95,;-.87,-43.15,;-.85,-41.62,;.49,-40.87,;1.82,-41.65,;1.79,-43.19,;.51,-39.33,;-.9,-38.71,;-2.23,-39.48,;-3.38,-38.44,;-4.88,-38.76,;-5.36,-40.22,;-4.44,-41.48,;-5.36,-42.74,;-6.83,-42.26,;-8.17,-43.03,;-9.5,-42.26,;-9.5,-40.71,;-8.17,-39.94,;-6.83,-40.71,;-2.75,-37.04,;-3.52,-35.71,;-1.22,-37.2,)| Show InChI InChI=1S/C18H21N5O/c1-11-4-6-13(7-5-11)21-18-22-15(17(24)23-18)9-12-10-20-16-14(12)3-2-8-19-16/h2-3,8-11,13H,4-7H2,1H3,(H,19,20)(H2,21,22,23,24) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279215
((Z)-2-[(2-Furylmethyl)amino]-5-(1H-pyrrolo[2,3-b]p...)Show SMILES O=C1NC(NCc2ccco2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11| Show InChI InChI=1S/C16H13N5O2/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1-8H,9H2,(H,17,18)(H2,19,20,21,22) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50279338
((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)Show SMILES O=C1N=C(NCc2ccccc2)SC1=Cc1c[nH]c2ncccc12 |w:14.16,t:2| Show InChI InChI=1S/C18H14N4OS/c23-17-15(9-13-11-20-16-14(13)7-4-8-19-16)24-18(22-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H,21,22,23) | PDB
MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdk9/cyclinT (unknown origin) |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279248
((Z)-2-[(2-Phenylethyl)amino]-5-(1H-pyrrolo[2,3-b]p...)Show SMILES O=C1NC(NCCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:15.17,c:13| Show InChI InChI=1S/C19H17N5O/c25-18-16(11-14-12-22-17-15(14)7-4-9-20-17)23-19(24-18)21-10-8-13-5-2-1-3-6-13/h1-7,9,11-12H,8,10H2,(H,20,22)(H2,21,23,24,25) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279247
((Z)-5-[1-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-methylide...)Show SMILES O=C1NC(NCc2cccs2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11| Show InChI InChI=1S/C16H13N5OS/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1-8H,9H2,(H,17,18)(H2,19,20,21,22) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279099
((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)Show SMILES O=C1NC(NCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12| Show InChI InChI=1S/C18H15N5O/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H2,21,22,23,24) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279249
((Z)-2-(Cyclohexylamino)-5-(1H-pyrrolo[2,3-b]pyridi...)Show SMILES O=C1NC(NC2CCCCC2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11| Show InChI InChI=1S/C17H19N5O/c23-16-14(9-11-10-19-15-13(11)7-4-8-18-15)21-17(22-16)20-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6H2,(H,18,19)(H2,20,21,22,23) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279214
((Z)-2-((S)-1-Phenyl-ethylamino)-5-[1-(1H-pyrrolo[2...)Show SMILES C[C@H](NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1)c1ccccc1 |r,w:6.6,t:3| Show InChI InChI=1S/C19H17N5O/c1-12(13-6-3-2-4-7-13)22-19-23-16(18(25)24-19)10-14-11-21-17-15(14)8-5-9-20-17/h2-12H,1H3,(H,20,21)(H2,22,23,24,25)/t12-/m0/s1 | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279281
((Z)-5-(1H-Pyrrolo[2,3-b]pyridin-3-ylmethylene)-2-[...)Show SMILES O=C1NC(NCC2CCCO2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11| Show InChI InChI=1S/C16H17N5O2/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1,4-5,7-8,11H,2-3,6,9H2,(H,17,18)(H2,19,20,21,22) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279335
(CHEMBL484988 | Z)-2-[(3,3-Dimethylbutyl)amino]-5-(...)Show SMILES CC(C)(C)CCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.10,t:7| Show InChI InChI=1S/C17H21N5O/c1-17(2,3)6-8-19-16-21-13(15(23)22-16)9-11-10-20-14-12(11)5-4-7-18-14/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,20)(H2,19,21,22,23) | PDB
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Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424917
(CHEMBL2311578)Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424919
(CHEMBL2315422)Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C26H27N5O3S2/c1-18-15-21(10-13-24(18)19-8-11-23(12-9-19)36(27,32)33)34-17-25-29-30-26(35-22-6-2-3-7-22)31(25)20-5-4-14-28-16-20/h4-5,8-16,22H,2-3,6-7,17H2,1H3,(H2,27,32,33) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279144
((Z)-2-Piperidin-1-yl-5-(1H-pyrrolo[2,3-b]pyridin-3...)Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)N1CCCCC1 |w:6.7,c:3| Show InChI InChI=1S/C16H17N5O/c22-15-13(19-16(20-15)21-7-2-1-3-8-21)9-11-10-18-14-12(11)5-4-6-17-14/h4-6,9-10H,1-3,7-8H2,(H,17,18)(H,19,20,22) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279372
((Z)-2-((S)-1-Phenyl-ethylamino)-5-[1-(1H-pyrrolo[2...)Show SMILES C[C@H](NC1=NC(=O)C(S1)=Cc1c[nH]c2ncccc12)c1ccccc1 |r,w:9.10,t:3| Show InChI InChI=1S/C19H16N4OS/c1-12(13-6-3-2-4-7-13)22-19-23-18(24)16(25-19)10-14-11-21-17-15(14)8-5-9-20-17/h2-12H,1H3,(H,20,21)(H,22,23,24)/t12-/m0/s1 | PDB
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Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279143
((Z)-2-(3-Methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin...)Show SMILES Cc1cccc(c1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8| Show InChI InChI=1S/C18H14N4O/c1-11-4-2-5-12(8-11)16-21-15(18(23)22-16)9-13-10-20-17-14(13)6-3-7-19-17/h2-10H,1H3,(H,19,20)(H,21,22,23) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279250
((Z)-2-(Cyclopropylamino)-5-(1H-pyrrolo[2,3-b]pyrid...)Show SMILES O=C1NC(NC2CC2)=NC1=Cc1c[nH]c2ncccc12 |w:10.12,c:8| Show InChI InChI=1S/C14H13N5O/c20-13-11(18-14(19-13)17-9-3-4-9)6-8-7-16-12-10(8)2-1-5-15-12/h1-2,5-7,9H,3-4H2,(H,15,16)(H2,17,18,19,20) | PDB
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Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279286
((Z)-2-(Pentylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)Show SMILES CCCCCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:9.9,t:6| Show InChI InChI=1S/C16H19N5O/c1-2-3-4-7-18-16-20-13(15(22)21-16)9-11-10-19-14-12(11)6-5-8-17-14/h5-6,8-10H,2-4,7H2,1H3,(H,17,19)(H2,18,20,21,22) | PDB
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Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279336
((Z)-2-[(2-Hydroxyethyl)amino]-5-(1H-pyrrolo[2,3-b]...)Show SMILES OCCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:7.7,t:4| Show InChI InChI=1S/C13H13N5O2/c19-5-4-15-13-17-10(12(20)18-13)6-8-7-16-11-9(8)2-1-3-14-11/h1-3,6-7,19H,4-5H2,(H,14,16)(H2,15,17,18,20) | PDB
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Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279184
((Z)-2-[(3-Chlorobenzyl)amino]-5-(1H-pyrrolo[2,3-b]...)Show SMILES Clc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8| Show InChI InChI=1S/C18H14ClN5O/c19-13-4-1-3-11(7-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)5-2-6-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25) | PDB
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Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424939
(CHEMBL2315430)Show SMILES NC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H25N5O2S/c27-25(32)20-9-7-18(8-10-20)19-11-13-22(14-12-19)33-17-24-29-30-26(34-23-5-1-2-6-23)31(24)21-4-3-15-28-16-21/h3-4,7-16,23H,1-2,5-6,17H2,(H2,27,32) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424938
(CHEMBL2315431)Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H27N5O2S/c1-28-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)34-18-25-30-31-27(35-24-6-2-3-7-24)32(25)22-5-4-16-29-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,28,33) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424942
(CHEMBL2315427)Show SMILES CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H27N5O3S/c1-34-31-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)35-18-25-29-30-27(36-24-6-2-3-7-24)32(25)22-5-4-16-28-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,31,33) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279284
((Z)-2-(Ethylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-y...)Show SMILES CCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:6.6,t:3| Show InChI InChI=1S/C13H13N5O/c1-2-14-13-17-10(12(19)18-13)6-8-7-16-11-9(8)4-3-5-15-11/h3-7H,2H2,1H3,(H,15,16)(H2,14,17,18,19) | PDB
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279179
((Z)-2-Morpholin-4-yl-5-[1-(1H-pyrrolo[2,3-b]pyridi...)Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)N1CCOCC1 |w:6.7,c:3| Show InChI InChI=1S/C15H15N5O2/c21-14-12(18-15(19-14)20-4-6-22-7-5-20)8-10-9-17-13-11(10)2-1-3-16-13/h1-3,8-9H,4-7H2,(H,16,17)(H,18,19,21) | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279142
((Z)-2-(4-Methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin...)Show SMILES Cc1ccc(cc1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8| Show InChI InChI=1S/C18H14N4O/c1-11-4-6-12(7-5-11)16-21-15(18(23)22-16)9-13-10-20-17-14(13)3-2-8-19-17/h2-10H,1H3,(H,19,20)(H,21,22,23) | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424941
(CHEMBL2315428)Show SMILES OCC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H26N4O3S/c32-17-25(33)21-9-7-19(8-10-21)20-11-13-23(14-12-20)34-18-26-29-30-27(35-24-5-1-2-6-24)31(26)22-4-3-15-28-16-22/h3-4,7-16,24,32H,1-2,5-6,17-18H2 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279182
((Z)-2-[(3-Methylbenzyl)amino]-5-(1H-pyrrolo[2,3-b]...)Show SMILES Cc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8| Show InChI InChI=1S/C19H17N5O/c1-12-4-2-5-13(8-12)10-22-19-23-16(18(25)24-19)9-14-11-21-17-15(14)6-3-7-20-17/h2-9,11H,10H2,1H3,(H,20,21)(H2,22,23,24,25) | PDB
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Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279060
((Z)-2-phenyl-5-(1Hpyrrolo[2,3-b]pyridin-3-ylmethyl...)Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)c1ccccc1 |w:6.7,c:3| Show InChI InChI=1S/C17H12N4O/c22-17-14(20-15(21-17)11-5-2-1-3-6-11)9-12-10-19-16-13(12)7-4-8-18-16/h1-10H,(H,18,19)(H,20,21,22) | PDB
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Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424916
(CHEMBL2315424)Show SMILES CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H28N4O2S/c1-19-16-24(13-14-26(19)22-11-9-21(10-12-22)20(2)33)34-18-27-30-31-28(35-25-7-3-4-8-25)32(27)23-6-5-15-29-17-23/h5-6,9-17,25H,3-4,7-8,18H2,1-2H3 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424918
(CHEMBL2315423)Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H29N5O2S/c1-19-16-23(13-14-25(19)20-9-11-21(12-10-20)27(34)29-2)35-18-26-31-32-28(36-24-7-3-4-8-24)33(26)22-6-5-15-30-17-22/h5-6,9-17,24H,3-4,7-8,18H2,1-2H3,(H,29,34) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279212
((Z)-2-[(3-Bromobenzyl)amino]-5-(1H-pyrrolo[2,3-b]p...)Show SMILES Brc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8| Show InChI InChI=1S/C18H14BrN5O/c19-13-4-1-3-11(7-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)5-2-6-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25) | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424920
(CHEMBL2315421)Show SMILES CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H29N5O3S/c1-19-16-23(13-14-25(19)20-9-11-21(12-10-20)27(34)32-35-2)36-18-26-30-31-28(37-24-7-3-4-8-24)33(26)22-6-5-15-29-17-22/h5-6,9-17,24H,3-4,7-8,18H2,1-2H3,(H,32,34) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279141
((Z)-2-Pyridin-3-yl-5-(1H-pyrrolo[2,3-b]pyridin-3-y...)Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)c1cccnc1 |w:6.7,c:3| Show InChI InChI=1S/C16H11N5O/c22-16-13(20-14(21-16)10-3-1-5-17-8-10)7-11-9-19-15-12(11)4-2-6-18-15/h1-9H,(H,18,19)(H,20,21,22) | PDB
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Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424937
(CHEMBL2315432)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H26N4O3S2/c1-35(31,32)24-14-10-20(11-15-24)19-8-12-22(13-9-19)33-18-25-28-29-26(34-23-6-2-3-7-23)30(25)21-5-4-16-27-17-21/h4-5,8-17,23H,2-3,6-7,18H2,1H3 | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279282
((Z)-2-[(cyclohexylmethyl)amino]-5-(1H-pyrrolo[2,3-...)Show SMILES O=C1NC(NCC2CCCCC2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12| Show InChI InChI=1S/C18H21N5O/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H,19,20)(H2,21,22,23,24) | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424936
(CHEMBL2315433)Show SMILES CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H26N4O2S/c1-19(32)20-8-10-21(11-9-20)22-12-14-24(15-13-22)33-18-26-29-30-27(34-25-6-2-3-7-25)31(26)23-5-4-16-28-17-23/h4-5,8-17,25H,2-3,6-7,18H2,1H3 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279181
((Z)-2-(2-Methyl-morpholin-4-yl)-5-[1-(1H-pyrrolo[2...)Show SMILES CC1CN(CCO1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8| Show InChI InChI=1S/C16H17N5O2/c1-10-9-21(5-6-23-10)16-19-13(15(22)20-16)7-11-8-18-14-12(11)3-2-4-17-14/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,18)(H,19,20,22) | PDB
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| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424915
(CHEMBL2315425)Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(C=O)cc1 Show InChI InChI=1S/C27H26N4O2S/c1-19-15-23(12-13-25(19)21-10-8-20(17-32)9-11-21)33-18-26-29-30-27(34-24-6-2-3-7-24)31(26)22-5-4-14-28-16-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3 | PDB
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424940
(CHEMBL2315429)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C25H25N5O3S2/c26-35(31,32)23-13-9-19(10-14-23)18-7-11-21(12-8-18)33-17-24-28-29-25(34-22-5-1-2-6-22)30(24)20-4-3-15-27-16-20/h3-4,7-16,22H,1-2,5-6,17H2,(H2,26,31,32) | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424921
(CHEMBL2315420)Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)C#N Show InChI InChI=1S/C27H25N5OS/c1-19-15-23(12-13-25(19)21-10-8-20(16-28)9-11-21)33-18-26-30-31-27(34-24-6-2-3-7-24)32(26)22-5-4-14-29-17-22/h4-5,8-15,17,24H,2-3,6-7,18H2,1H3 | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424884
(CHEMBL2315450)Show InChI InChI=1S/C19H18ClFN4OS/c20-16-8-7-14(10-17(16)21)26-12-18-23-24-19(27-15-5-1-2-6-15)25(18)13-4-3-9-22-11-13/h3-4,7-11,15H,1-2,5-6,12H2 | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase
(Homo sapiens (Human)) | BDBM50279211
((Z)-2-[(4-Chlorobenzyl)amino]-5-(1H-pyrrolo[2,3-b]...)Show SMILES Clc1ccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H14ClN5O/c19-13-5-3-11(4-6-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)2-1-7-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25) | PDB
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2 |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424883
(CHEMBL2315451)Show SMILES N#Cc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H23N5OS/c27-16-19-7-9-20(10-8-19)21-11-13-23(14-12-21)32-18-25-29-30-26(33-24-5-1-2-6-24)31(25)22-4-3-15-28-17-22/h3-4,7-15,17,24H,1-2,5-6,18H2 | PDB
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| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424882
(CHEMBL2315452)Show InChI InChI=1S/C19H18Cl2N4OS/c20-16-8-7-14(10-17(16)21)26-12-18-23-24-19(27-15-5-1-2-6-15)25(18)13-4-3-9-22-11-13/h3-4,7-11,15H,1-2,5-6,12H2 | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50279099
((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...)Show SMILES O=C1NC(NCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12| Show InChI InChI=1S/C18H15N5O/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H2,21,22,23,24) | PDB
MMDB
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| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Cdk9/cyclinT (unknown origin) |
J Med Chem 52: 4380-90 (2009)
Article DOI: 10.1021/jm900248g
BindingDB Entry DOI: 10.7270/Q2FF3S8C |
More data for this
Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424881
(CHEMBL2315453)Show InChI InChI=1S/C20H21BrN4OS/c1-14-11-16(8-9-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this
Ligand-Target Pair | |
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