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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'richards' and Initial = 'wg'   
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
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367445
PNG
(CHEMBL49597)
Show SMILES CCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301365
PNG
(CHEMBL570365 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cc(cn(-c5ccccc5)c4=O)-c4cccnc4)nc3)c2cc1OC
Show InChI InChI=1S/C33H25N5O5/c1-41-29-16-25-27(17-30(29)42-2)35-14-12-28(25)43-24-10-11-31(36-19-24)37-32(39)26-15-22(21-7-6-13-34-18-21)20-38(33(26)40)23-8-4-3-5-9-23/h3-20H,1-2H3,(H,36,37,39)
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n/an/a 33n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301356
PNG
(CHEMBL585927 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35)
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n/an/a 35n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301359
PNG
(CHEMBL570846 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4c(NC5CCOCC5)ccn(-c5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C33H31N5O6/c1-41-28-18-24-26(19-29(28)42-2)34-14-10-27(24)44-23-8-9-30(35-20-23)37-32(39)31-25(36-21-12-16-43-17-13-21)11-15-38(33(31)40)22-6-4-3-5-7-22/h3-11,14-15,18-21,36H,12-13,16-17H2,1-2H3,(H,35,37,39)
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n/an/a 44n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301358
PNG
(CHEMBL568729 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C31H29N5O6/c1-39-16-14-33-23-12-15-36(20-7-5-4-6-8-20)31(38)29(23)30(37)35-28-10-9-21(19-34-28)42-25-11-13-32-24-18-27(41-3)26(40-2)17-22(24)25/h4-13,15,17-19,33H,14,16H2,1-3H3,(H,34,35,37)
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n/an/a 50n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301364
PNG
(CHEMBL570380 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cc(cn(-c5ccccc5)c4=O)-c4cccs4)nc3)c2cc1OC
Show InChI InChI=1S/C32H24N4O5S/c1-39-27-16-23-25(17-28(27)40-2)33-13-12-26(23)41-22-10-11-30(34-18-22)35-31(37)24-15-20(29-9-6-14-42-29)19-36(32(24)38)21-7-4-3-5-8-21/h3-19H,1-2H3,(H,34,35,37)
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n/an/a 53n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50453369
PNG
(CHEMBL48218)
Show SMILES CCc1ccc(cc1)N1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C19H23NO/c1-2-15-8-10-18(11-9-15)20-12-4-6-17(14-20)16-5-3-7-19(21)13-16/h3,5,7-11,13,17,21H,2,4,6,12,14H2,1H3/t17-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301356
PNG
(CHEMBL585927 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35)
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n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PyK2 Y402 autophosphorylation expressed in 293T cells by immunofluorescence assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367445
PNG
(CHEMBL49597)
Show SMILES CCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301362
PNG
(4-(2-methoxyethylamino)-N-(5-(7-methoxyquinolin-4-...)
Show SMILES COCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)ccc23)cn1
Show InChI InChI=1S/C30H27N5O5/c1-38-17-15-32-24-13-16-35(20-6-4-3-5-7-20)30(37)28(24)29(36)34-27-11-9-22(19-33-27)40-26-12-14-31-25-18-21(39-2)8-10-23(25)26/h3-14,16,18-19,32H,15,17H2,1-2H3,(H,33,34,36)
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n/an/a 120n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301363
PNG
(1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyrid...)
Show SMILES CNc1ccn(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C30H27N5O5/c1-31-22-12-14-35(18-19-7-5-4-6-8-19)30(37)28(22)29(36)34-27-10-9-20(17-33-27)40-24-11-13-32-23-16-26(39-3)25(38-2)15-21(23)24/h4-17,31H,18H2,1-3H3,(H,33,34,36)
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n/an/a 170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301357
PNG
(CHEMBL572237 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4c(ccn(-c5ccccc5)c4=O)N(C)C)nc3)c2cc1OC
Show InChI InChI=1S/C30H27N5O5/c1-34(2)23-13-15-35(19-8-6-5-7-9-19)30(37)28(23)29(36)33-27-11-10-20(18-32-27)40-24-12-14-31-22-17-26(39-4)25(38-3)16-21(22)24/h5-18H,1-4H3,(H,32,33,36)
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n/an/a 200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50452348
PNG
(CHEMBL8033)
Show SMILES Oc1cccc(c1)[C@@H]1CCCNC1
Show InChI InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-/m1/s1
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50452349
PNG
(CHEMBL46256)
Show SMILES CN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C12H17NO/c1-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50452349
PNG
(CHEMBL46256)
Show SMILES CN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C12H17NO/c1-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301366
PNG
(5-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyrid...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cc(Cc5ccccc5)cn(-c5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C35H28N4O5/c1-42-31-19-27-29(20-32(31)43-2)36-16-15-30(27)44-26-13-14-33(37-21-26)38-34(40)28-18-24(17-23-9-5-3-6-10-23)22-39(35(28)41)25-11-7-4-8-12-25/h3-16,18-22H,17H2,1-2H3,(H,37,38,40)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PyK2 Y402 autophosphorylation expressed in 293T cells by immunofluorescence assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301366
PNG
(5-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyrid...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cc(Cc5ccccc5)cn(-c5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C35H28N4O5/c1-42-31-19-27-29(20-32(31)43-2)36-16-15-30(27)44-26-13-14-33(37-21-26)38-34(40)28-18-24(17-23-9-5-3-6-10-23)22-39(35(28)41)25-11-7-4-8-12-25/h3-16,18-22H,17H2,1-2H3,(H,37,38,40)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PyK2 Y402 autophosphorylation expressed in 293T cells by immunofluorescence assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367441
PNG
(CHEMBL8268)
Show SMILES Oc1cccc(c1)[C@H]1CCCNC1
Show InChI InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-/m0/s1
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 417n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367446
PNG
(CHEMBL49617)
Show SMILES CN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C12H17NO/c1-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301367
PNG
(CHEMBL570381 | N-(5-(7-methoxyquinolin-4-yloxy)pyr...)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4cc(cn(-c5ccccc5)c4=O)-c4cccnc4)nc3)ccnc2c1
Show InChI InChI=1S/C32H23N5O4/c1-40-24-9-11-26-28(17-24)34-15-13-29(26)41-25-10-12-30(35-19-25)36-31(38)27-16-22(21-6-5-14-33-18-21)20-37(32(27)39)23-7-3-2-4-8-23/h2-20H,1H3,(H,35,36,38)
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n/an/a 430n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367443
PNG
(CHEMBL45778)
Show SMILES CCCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-9-16-10-5-7-14(12-16)13-6-4-8-15(17)11-13/h4,6,8,11,14,17H,2-3,5,7,9-10,12H2,1H3/t14-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367442
PNG
(CHEMBL424223)
Show SMILES CC(C)N1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-11(2)15-8-4-6-13(10-15)12-5-3-7-14(16)9-12/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3/t13-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367447
PNG
(CHEMBL47750)
Show SMILES CCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367440
PNG
(CHEMBL48219)
Show SMILES CCCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-9-16-10-5-7-14(12-16)13-6-4-8-15(17)11-13/h4,6,8,11,14,17H,2-3,5,7,9-10,12H2,1H3/t14-/m1/s1
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n/an/a 560n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367446
PNG
(CHEMBL49617)
Show SMILES CN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C12H17NO/c1-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367444
PNG
(CHEMBL432125)
Show SMILES CC(C)N1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-11(2)15-8-4-6-13(10-15)12-5-3-7-14(16)9-12/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3/t13-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367441
PNG
(CHEMBL8268)
Show SMILES Oc1cccc(c1)[C@H]1CCCNC1
Show InChI InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367442
PNG
(CHEMBL424223)
Show SMILES CC(C)N1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-11(2)15-8-4-6-13(10-15)12-5-3-7-14(16)9-12/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3/t13-/m1/s1
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n/an/a 680n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367447
PNG
(CHEMBL47750)
Show SMILES CCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5,7,9,12,15H,2,4,6,8,10H2,1H3/t12-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50301356
PNG
(CHEMBL585927 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak3


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301368
PNG
(CHEMBL570189 | N-(5-(7-methoxyquinolin-4-yloxy)pyr...)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4cc(cn(-c5ccccc5)c4=O)-c4cnccn4)nc3)ccnc2c1
Show InChI InChI=1S/C31H22N6O4/c1-40-22-7-9-24-26(16-22)33-12-11-28(24)41-23-8-10-29(35-17-23)36-30(38)25-15-20(27-18-32-13-14-34-27)19-37(31(25)39)21-5-3-2-4-6-21/h2-19H,1H3,(H,35,36,38)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens (Human))
BDBM50301356
PNG
(CHEMBL585927 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PEK


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50301356
PNG
(CHEMBL585927 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak1


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50301356
PNG
(CHEMBL585927 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak2


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM50301356
PNG
(CHEMBL585927 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKR


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50301356
PNG
(CHEMBL585927 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of TYK2


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367444
PNG
(CHEMBL432125)
Show SMILES CC(C)N1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-11(2)15-8-4-6-13(10-15)12-5-3-7-14(16)9-12/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3/t13-/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301364
PNG
(CHEMBL570380 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cc(cn(-c5ccccc5)c4=O)-c4cccs4)nc3)c2cc1OC
Show InChI InChI=1S/C32H24N4O5S/c1-39-27-16-23-25(17-28(27)40-2)33-13-12-26(23)41-22-10-11-30(34-18-22)35-31(37)24-15-20(29-9-6-14-42-29)19-36(32(24)38)21-7-4-3-5-8-21/h3-19H,1-2H3,(H,34,35,37)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PyK2 Y402 autophosphorylation expressed in 293T cells by immunofluorescence assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50452348
PNG
(CHEMBL8033)
Show SMILES Oc1cccc(c1)[C@@H]1CCCNC1
Show InChI InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2/t10-/m1/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50301359
PNG
(CHEMBL570846 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4c(NC5CCOCC5)ccn(-c5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C33H31N5O6/c1-41-28-18-24-26(19-29(28)42-2)34-14-10-27(24)44-23-8-9-30(35-20-23)37-32(39)31-25(36-21-12-16-43-17-13-21)11-15-38(33(31)40)22-6-4-3-5-7-22/h3-11,14-15,18-21,36H,12-13,16-17H2,1-2H3,(H,35,37,39)
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAK by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50453368
PNG
(CHEMBL47900)
Show SMILES CCc1ccc(cc1)N1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C19H23NO/c1-2-15-8-10-18(11-9-15)20-12-4-6-17(14-20)16-5-3-7-19(21)13-16/h3,5,7-11,13,17,21H,2,4,6,12,14H2,1H3/t17-/m1/s1
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PubMed
n/an/a 1.36E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50301361
PNG
(CHEMBL570647 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4c(Nc5ccccc5)ccn(-c5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C34H27N5O5/c1-42-29-19-25-27(20-30(29)43-2)35-17-15-28(25)44-24-13-14-31(36-21-24)38-33(40)32-26(37-22-9-5-3-6-10-22)16-18-39(34(32)41)23-11-7-4-8-12-23/h3-21,37H,1-2H3,(H,36,38,40)
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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pyk2 by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50367440
PNG
(CHEMBL48219)
Show SMILES CCCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-9-16-10-5-7-14(12-16)13-6-4-8-15(17)11-13/h4,6,8,11,14,17H,2-3,5,7,9-10,12H2,1H3/t14-/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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PubMed
n/an/a 1.52E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50301366
PNG
(5-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyrid...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cc(Cc5ccccc5)cn(-c5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C35H28N4O5/c1-42-31-19-27-29(20-32(31)43-2)36-16-15-30(27)44-26-13-14-33(37-21-26)38-34(40)28-18-24(17-23-9-5-3-6-10-23)22-39(35(28)41)25-11-7-4-8-12-25/h3-16,18-22H,17H2,1-2H3,(H,37,38,40)
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PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAK by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50301358
PNG
(CHEMBL568729 | N-(5-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
Show InChI InChI=1S/C31H29N5O6/c1-39-16-14-33-23-12-15-36(20-7-5-4-6-8-20)31(38)29(23)30(37)35-28-10-9-21(19-34-28)42-25-11-13-32-24-18-27(41-3)26(40-2)17-22(24)25/h4-13,15,17-19,33H,14,16H2,1-3H3,(H,34,35,37)
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PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAK by HTRF assay


Bioorg Med Chem Lett 19: 4924-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.084
BindingDB Entry DOI: 10.7270/Q2N017G2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50453368
PNG
(CHEMBL47900)
Show SMILES CCc1ccc(cc1)N1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C19H23NO/c1-2-15-8-10-18(11-9-15)20-12-4-6-17(14-20)16-5-3-7-19(21)13-16/h3,5,7-11,13,17,21H,2,4,6,12,14H2,1H3/t17-/m1/s1
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PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
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