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Compile Data Set for Download or QSAR

Found 330 hits with Last Name = 'fiorelli' and Initial = 'c'   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US9029356, 11 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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6.20n/an/an/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin)


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437233
PNG
(CHEMBL2402911)
Show SMILES CC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-14(23)15-6-5-7-16(12-15)19-13-18(10-11-20(19)24)26-21(25)22-17-8-3-2-4-9-17/h5-7,10-13,17,24H,2-4,8-9H2,1H3,(H,22,25)
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n/an/a 0.300n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437232
PNG
(3‐(3‐carbamoylphenyl)‐4‐me...)
Show SMILES COc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H24N2O4/c1-26-19-11-10-17(27-21(25)23-16-8-3-2-4-9-16)13-18(19)14-6-5-7-15(12-14)20(22)24/h5-7,10-13,16H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437231
PNG
(CHEMBL2402925)
Show SMILES NC(=O)c1cccc(c1)-c1cc(O)cc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(9-14)15-10-17(23)12-18(11-15)26-20(25)22-16-7-2-1-3-8-16/h4-6,9-12,16,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50321580
PNG
(1-(3-aminopropyl)-8-(phenylamino)-4,5-dihydro-1H-p...)
Show SMILES NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C19H21N7O/c20-9-4-10-26-17-14(16(25-26)18(21)27)8-7-12-11-22-19(24-15(12)17)23-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,20H2,(H2,21,27)(H,22,23,24)
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NCI pathway
Reactome pathway
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n/an/a 1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 4095-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US9029356, 11 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437230
PNG
(CHEMBL2402922)
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1CO
Show InChI InChI=1S/C21H24N2O4/c22-20(25)15-6-4-5-14(11-15)19-12-18(10-9-16(19)13-24)27-21(26)23-17-7-2-1-3-8-17/h4-6,9-12,17,24H,1-3,7-8,13H2,(H2,22,25)(H,23,26)
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n/an/a 1.20n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437229
PNG
(CHEMBL2402915)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C22H26N2O4/c1-24(2)21(26)16-8-6-7-15(13-16)19-14-18(11-12-20(19)25)28-22(27)23-17-9-4-3-5-10-17/h6-8,11-14,17,25H,3-5,9-10H2,1-2H3,(H,23,27)
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n/an/a 1.5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437228
PNG
(CHEMBL2402920)
Show SMILES OCc1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H23NO4/c22-13-14-5-4-6-15(11-14)18-12-17(9-10-19(18)23)25-20(24)21-16-7-2-1-3-8-16/h4-6,9-12,16,22-23H,1-3,7-8,13H2,(H,21,24)
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n/an/a 1.60n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437227
PNG
(CHEMBL2402927 | US9187413, 1b (URB937))
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
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n/an/a 2n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437226
PNG
(CHEMBL2402919)
Show SMILES CC(O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C21H25NO4/c1-14(23)15-6-5-7-16(12-15)19-13-18(10-11-20(19)24)26-21(25)22-17-8-3-2-4-9-17/h5-7,10-14,17,23-24H,2-4,8-9H2,1H3,(H,22,25)
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n/an/a 2n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437225
PNG
(CHEMBL2402926)
Show SMILES COc1cc(OC(=O)NC2CCCCC2)cc(c1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H24N2O4/c1-26-18-11-16(14-6-5-7-15(10-14)20(22)24)12-19(13-18)27-21(25)23-17-8-3-2-4-9-17/h5-7,10-13,17H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437224
PNG
(CHEMBL2402918)
Show SMILES Cc1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H23NO3/c1-14-6-5-7-15(12-14)18-13-17(10-11-19(18)22)24-20(23)21-16-8-3-2-4-9-16/h5-7,10-13,16,22H,2-4,8-9H2,1H3,(H,21,23)
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n/an/a 2.5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437223
PNG
(CHEMBL2402916)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C19H22N2O5S/c20-27(24,25)16-8-4-5-13(11-16)17-12-15(9-10-18(17)22)26-19(23)21-14-6-2-1-3-7-14/h4-5,8-12,14,22H,1-3,6-7H2,(H,21,23)(H2,20,24,25)
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n/an/a 2.70n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US9029356, 11 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TRKB incubated for 90 mins by selectscreen kinase assay


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US9029356, 11 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human TEL (336 residues) fused-TRKB (455 to 822 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi...


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US9029356, 11 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human TEL (336 residues) fused-TRKC (454 to 825 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi...


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US9029356, 11 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human TEL (336 residues) fused-TRKA (440 to 796 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi...


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50170106
PNG
(CHEMBL3805643)
Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1
Show InChI InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US9029356, 11 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human TEL (336 residues) fused-ROS1 (1891 to 2347 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhi...


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439653
PNG
(CHEMBL2419830 | US9353075, 35)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCC1CCCCC1 |r|
Show InChI InChI=1S/C16H27NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439649
PNG
(CHEMBL2419811 | US9353075, 7)
Show SMILES CCCCCCC[C@H](C)OC(=O)N[C@@H]1[C@H](C)OC1=O |r|
Show InChI InChI=1S/C14H25NO4/c1-4-5-6-7-8-9-10(2)18-14(17)15-12-11(3)19-13(12)16/h10-12H,4-9H2,1-3H3,(H,15,17)/t10-,11-,12+/m0/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US9029356, 11 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TRKC incubated for 90 mins by selectscreen kinase assay


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437222
PNG
(CHEMBL2402914)
Show SMILES CNC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C21H24N2O4/c1-22-20(25)15-7-5-6-14(12-15)18-13-17(10-11-19(18)24)27-21(26)23-16-8-3-2-4-9-16/h5-7,10-13,16,24H,2-4,8-9H2,1H3,(H,22,25)(H,23,26)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50437221
PNG
(CHEMBL2402917)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H23NO5S/c1-27(24,25)17-9-5-6-14(12-17)18-13-16(10-11-19(18)22)26-20(23)21-15-7-3-2-4-8-15/h5-6,9-13,15,22H,2-4,7-8H2,1H3,(H,21,23)
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Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillat...


J Med Chem 56: 5917-30 (2014)


Article DOI: 10.1021/jm4007017
BindingDB Entry DOI: 10.7270/Q2KP83KP
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50439664
PNG
(CHEMBL2419814 | US9353075, 17)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoylethanolamide as substrate preincubated for 30 mins followed by substrate ...


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50389023
PNG
(CHEMBL2064166 | US9353075, 6)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C16H21NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US9029356, 11 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439664
PNG
(CHEMBL2419814 | US9353075, 17)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
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Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50170108
PNG
(CHEMBL3806122)
Show SMILES CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C32H35F2N5O3/c1-39-10-6-25(7-11-39)42-26-3-4-27(30(19-26)35-24-8-12-41-13-9-24)32(40)36-31-28-17-20(2-5-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2-5,15-19,24-25,35H,6-14H2,1H3,(H2,36,37,38,40)
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n/an/a 9n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442758
PNG
(CHEMBL2443139)
Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442759
PNG
(CHEMBL2443138)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442760
PNG
(CHEMBL2443044)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50442757
PNG
(CHEMBL2443026)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PERK (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50442758
PNG
(CHEMBL2443139)
Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PERK (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50442759
PNG
(CHEMBL2443138)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PERK (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM50442760
PNG
(CHEMBL2443044)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PERK (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50442757
PNG
(CHEMBL2443026)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50442758
PNG
(CHEMBL2443139)
Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50442759
PNG
(CHEMBL2443138)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50442760
PNG
(CHEMBL2443044)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50442757
PNG
(CHEMBL2443026)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50442758
PNG
(CHEMBL2443139)
Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50442759
PNG
(CHEMBL2443138)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50442760
PNG
(CHEMBL2443044)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)
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n/an/a>10n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50442757
PNG
(CHEMBL2443026)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of CDC7 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50442758
PNG
(CHEMBL2443139)
Show SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18(30)12-21(31)24(22)23-14-20(28-34-23)25(32)27-17-8-10-29(3)11-9-17/h4-7,12-15,17,26,30-31H,8-11H2,1-3H3,(H,27,32)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of CDC7 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50442759
PNG
(CHEMBL2443138)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29)12-20(30)23(21)22-14-19(26-33-22)24(31)25-15-8-10-28(3)11-9-15/h4-7,12-15,29-30H,8-11H2,1-3H3,(H,25,31)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of CDC7 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50442760
PNG
(CHEMBL2443044)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of CDC7 (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (Human))
BDBM50442757
PNG
(CHEMBL2443026)
Show SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
Show InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36)17-26(37)29(27)28-19-25(33-42-28)30(38)32-20-9-13-35(14-10-20)22-7-11-31(12-8-22)39-15-16-40-31/h3-6,17-20,22,36-37H,7-16H2,1-2H3,(H,32,38)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of BRK (unknown origin)


Bioorg Med Chem 21: 7047-63 (2013)


Article DOI: 10.1016/j.bmc.2013.09.018
BindingDB Entry DOI: 10.7270/Q2V989HZ
More data for this
Ligand-Target Pair
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