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Compile Data Set for Download or QSAR

Found 414 hits with Last Name = 'mills' and Initial = 'j'   
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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50099623
PNG
(4-[2-(4,4-Dimethyl-pent-1-ynyl)-cyclopropyl]-1H-im...)
Show SMILES CC(C)(C)CC#CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C13H18N2/c1-13(2,3)6-4-5-10-7-11(10)12-8-14-9-15-12/h8-11H,6-7H2,1-3H3,(H,14,15)
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0.180n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50099622
PNG
(1-Cyclohexylmethyl-3-[2-(1H-imidazol-4-yl)-cyclopr...)
Show SMILES [NH3+]C(CC1CCCCC1)C=CC1CC1c1cnc[nH]1 |w:9.9|
Show InChI InChI=1S/C16H25N3/c17-14(8-12-4-2-1-3-5-12)7-6-13-9-15(13)16-10-18-11-19-16/h6-7,10-15H,1-5,8-9,17H2,(H,18,19)/p+1
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0.400n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50071496
PNG
(CHEMBL73053 | N-(4-Chloro-benzyl)-2-[4-(1H-imidazo...)
Show SMILES Clc1ccc(CNC(=N)Cc2ccc(Cc3cnc[nH]3)cc2)cc1
Show InChI InChI=1S/C19H19ClN4/c20-17-7-5-16(6-8-17)11-23-19(21)10-15-3-1-14(2-4-15)9-18-12-22-13-24-18/h1-8,12-13H,9-11H2,(H2,21,23)(H,22,24)
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7n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50050183
PNG
((4-Iodo-benzyl)-carbamic acid 3-(1H-imidazol-4-yl)...)
Show SMILES Ic1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16IN3O2/c15-12-5-3-11(4-6-12)8-17-14(19)20-7-1-2-13-9-16-10-18-13/h3-6,9-10H,1-2,7-8H2,(H,16,18)(H,17,19)
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12n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50099624
PNG
((4-Chloro-phenyl)-acetic acid 3-(1H-imidazol-4-yl)...)
Show SMILES Clc1ccc(CC(=O)OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H15ClN2O2/c15-12-5-3-11(4-6-12)8-14(18)19-7-1-2-13-9-16-10-17-13/h3-6,9-10H,1-2,7-8H2,(H,16,17)
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14n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50132166
PNG
(1,2,4,5-InsP4 | CHEMBL100498 | Phosphoric acid mon...)
Show SMILES OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(O)C(OP(O)(O)=O)C1OP(O)(O)=O |(-1.78,1.18,;-.25,1.18,;.51,2.53,;-.83,3.3,;-2.32,3.7,;-2.32,5.24,;-3.81,3.3,;-3.41,4.81,;2.14,1.91,;2.13,3.44,;1.73,4.93,;3.27,4.93,;.64,6.03,;2.13,6.44,;3.4,2.33,;3.4,3.88,;2.64,.99,;4.13,.6,;4.52,-.89,;6.06,-.89,;4.12,-2.37,;2.99,-.89,;.93,1.6,;.52,.12,;.52,-1.42,;-.97,-1.81,;1.28,-2.75,;.12,-2.89,)|
Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
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26.4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]Ins(1,4,5)P3 from membranes prepared from bovine adrenal corticles


Bioorg Med Chem Lett 3: 1505-1510 (1993)


Article DOI: 10.1016/S0960-894X(00)80007-4
BindingDB Entry DOI: 10.7270/Q27M08F4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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n/an/a 0.200n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 0.400n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354912
PNG
(CHEMBL1837039)
Show SMILES CN(C)S(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C22H26ClN7O2S/c1-27(2)33(31,32)29-14-17-13-18(23)6-7-19(17)30-21(15-29)25-26-22(30)16-8-11-28(12-9-16)20-5-3-4-10-24-20/h3-7,10,13,16H,8-9,11-12,14-15H2,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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n/an/a 0.600n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Abl1 kinase (unknown origin)


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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n/an/a 1n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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n/an/a 1n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427747
PNG
(CHEMBL2324926)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-10-12-37(13-11-35)17-18-5-6-19(14-22(18)26(27,28)29)32-25(39)33-23-15-20(36(2)34-23)7-8-21-16-30-24-4-3-9-31-38(21)24/h3-6,9,14-16H,10-13,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 1n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Abl1 kinase (unknown origin)


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Abl1 kinase (unknown origin)


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354897
PNG
(CHEMBL1837041)
Show SMILES CS(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C21H23ClN6O2S/c1-31(29,30)27-13-16-12-17(22)5-6-18(16)28-20(14-27)24-25-21(28)15-7-10-26(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 1.60n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Abl1 kinase (unknown origin)


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 2n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 3n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354913
PNG
(CHEMBL1837028)
Show SMILES Clc1cccc(Cn2c(Cn3nccn3)nnc2C2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C22H23ClN8/c23-19-5-3-4-17(14-19)15-30-21(16-31-25-10-11-26-31)27-28-22(30)18-7-12-29(13-8-18)20-6-1-2-9-24-20/h1-6,9-11,14,18H,7-8,12-13,15-16H2
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354895
PNG
(CHEMBL1837038)
Show SMILES COC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C22H23ClN6O2/c1-31-22(30)28-13-16-12-17(23)5-6-18(16)29-20(14-28)25-26-21(29)15-7-10-27(11-8-15)19-4-2-3-9-24-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354896
PNG
(CHEMBL1837040)
Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262471
PNG
((R)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262466
PNG
((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427747
PNG
(CHEMBL2324926)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-10-12-37(13-11-35)17-18-5-6-19(14-22(18)26(27,28)29)32-25(39)33-23-15-20(36(2)34-23)7-8-21-16-30-24-4-3-9-31-38(21)24/h3-6,9,14-16H,10-13,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 6n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354894
PNG
(CHEMBL1837037)
Show SMILES CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C21H23ClN6/c1-26-13-16-12-17(22)5-6-18(16)28-20(14-26)24-25-21(28)15-7-10-27(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50203945
PNG
((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...)
Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r|
Show InChI InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 7n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427742
PNG
(CHEMBL2324930)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 8n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354914
PNG
(CHEMBL1837017)
Show SMILES Cc1nnc(C2CCN(CC2)c2ccccn2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN5/c1-14-22-23-19(25(14)17-7-5-16(20)6-8-17)15-9-12-24(13-10-15)18-4-2-3-11-21-18/h2-8,11,15H,9-10,12-13H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50203945
PNG
((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...)
Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r|
Show InChI InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50241177
PNG
((R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-...)
Show SMILES CN(C)C(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO |r|
Show InChI InChI=1S/C17H28N4O4/c1-21(2)17(23)15-18-16(25-20-15)13(11-14(22)19-24)10-6-9-12-7-4-3-5-8-12/h12-13,24H,3-11H2,1-2H3,(H,19,22)/t13-/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase assessed as [3H]procollagen turnover by scintillation counting


Bioorg Med Chem Lett 18: 6562-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.036
BindingDB Entry DOI: 10.7270/Q2J1031M
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50241177
PNG
((R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-...)
Show SMILES CN(C)C(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO |r|
Show InChI InChI=1S/C17H28N4O4/c1-21(2)17(23)15-18-16(25-20-15)13(11-14(22)19-24)10-6-9-12-7-4-3-5-8-12/h12-13,24H,3-11H2,1-2H3,(H,19,22)/t13-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase expressed in CHO cells by fluorescence assay


Bioorg Med Chem Lett 18: 6562-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.036
BindingDB Entry DOI: 10.7270/Q2J1031M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 10n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 11n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427747
PNG
(CHEMBL2324926)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-10-12-37(13-11-35)17-18-5-6-19(14-22(18)26(27,28)29)32-25(39)33-23-15-20(36(2)34-23)7-8-21-16-30-24-4-3-9-31-38(21)24/h3-6,9,14-16H,10-13,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 12n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427745
PNG
(CHEMBL2324927)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5ccccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H27F3N8O/c1-35-11-13-37(14-12-35)18-19-6-7-20(15-23(19)27(28,29)30)32-26(39)33-24-16-21(36(2)34-24)8-9-22-17-31-25-5-3-4-10-38(22)25/h3-7,10,15-17H,11-14,18H2,1-2H3,(H2,32,33,34,39)
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n/an/a 12n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 12n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427741
PNG
(CHEMBL2324931)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)cc1C#Cc1cnc2ccccn12
Show InChI InChI=1S/C31H30F3N5O2/c1-22-5-9-26(18-23(22)8-10-27-20-35-29-4-2-3-11-39(27)29)36-30(41)24-6-7-25(28(19-24)31(32,33)34)21-38-14-12-37(13-15-38)16-17-40/h2-7,9,11,18-20,40H,12-17,21H2,1H3,(H,36,41)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262303
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(16)7-14(11)17/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50114031
PNG
((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl |r|
Show InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427744
PNG
(CHEMBL2324928)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cccnc4)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C25H26F3N7O/c1-33-10-12-35(13-11-33)17-19-6-7-20(14-22(19)25(26,27)28)30-24(36)31-23-15-21(34(2)32-23)8-5-18-4-3-9-29-16-18/h3-4,6-7,9,14-16H,10-13,17H2,1-2H3,(H2,30,31,32,36)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262415
PNG
((S)-N-(biphenyl-2-ylmethyl)-N-(pyrrolidin-3-yl)iso...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O/c1-16(2)21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427742
PNG
(CHEMBL2324930)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262466
PNG
((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262412
PNG
((S)-N-(2,3-dichlorobenzyl)-3-methyl-N-(pyrrolidin-...)
Show SMILES CC(C)CC(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-11(2)8-15(21)20(13-6-7-19-9-13)10-12-4-3-5-14(17)16(12)18/h3-5,11,13,19H,6-10H2,1-2H3/t13-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50256367
PNG
((R)-2-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-...)
Show SMILES Cc1oc(nc1C(N)=O)[C@H](CCCC1CCCCC1)CC(=O)NO |r|
Show InChI InChI=1S/C17H27N3O4/c1-11-15(16(18)22)19-17(24-11)13(10-14(21)20-23)9-5-8-12-6-3-2-4-7-12/h12-13,23H,2-10H2,1H3,(H2,18,22)(H,20,21)/t13-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase assessed as [3H]procollagen turnover by scintillation counting


Bioorg Med Chem Lett 18: 6562-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.036
BindingDB Entry DOI: 10.7270/Q2J1031M
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354915
PNG
(CHEMBL1837022)
Show SMILES CCCCc1nnc(C2CCN(CC2)c2ccccn2)n1Cc1ccccc1
Show InChI InChI=1S/C23H29N5/c1-2-3-11-22-25-26-23(28(22)18-19-9-5-4-6-10-19)20-13-16-27(17-14-20)21-12-7-8-15-24-21/h4-10,12,15,20H,2-3,11,13-14,16-18H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
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