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Compile Data Set for Download or QSAR

Found 1353 hits with Last Name = 'lang' and Initial = 'l'   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM106870
PNG
(US8592455, 70)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
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 0.00600n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM106870
PNG
(US8592455, 70)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
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 0.00900n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
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 0.0170n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM106870
PNG
(US8592455, 70)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
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 0.0180n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
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 0.160n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
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 0.230n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50076428
PNG
(4-Fluoro-cyclohexanecarboxylic acid {2-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
Show InChI InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3
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 0.247n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor by Panlabs assay

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))		BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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 0.340n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding (Experi...

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50076428
PNG
(4-Fluoro-cyclohexanecarboxylic acid {2-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
Show InChI InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3
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 0.515n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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 0.590n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
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 0.791n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Experiment 2)

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM106899
PNG
(US8592455, 99)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.7,1.0,(-6,2.69,;-4.67,1.93,;-3.33,2.69,;-2,1.93,;-2,.38,;-3.33,-.38,;-4.67,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H21F3N4O/c24-16-5-2-6-17(25)21(16)22-18(26)7-8-19(29-22)23(31)30-20-12-28-10-9-15(20)13-3-1-4-14(27)11-13/h2,5-10,12-14H,1,3-4,11,27H2,(H,30,31)/t13-,14+/m1/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50500175
PNG
(CHEMBL3676258)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H19F2N5OS/c21-13-4-1-5-14(22)18(13)20-26-16(11-29-20)19(28)25-15-9-24-7-6-17(15)27-8-2-3-12(23)10-27/h1,4-7,9,11-12H,2-3,8,10,23H2,(H,25,28)/t12-/m0/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50500179
PNG
(CHEMBL3746909)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C23H23F2N5O/c1-14-10-15(26)13-30(12-14)21-8-9-27-11-20(21)29-23(31)19-7-6-18(25)22(28-19)16-4-2-3-5-17(16)24/h2-9,11,14-15H,10,12-13,26H2,1H3,(H,29,31)/t14-,15+/m1/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50500182
PNG
(CHEMBL3747545)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,3.3,(-2.4,-6.01,;-1.33,-5.39,;0,-6.16,;1.34,-5.39,;2.41,-6,;1.33,-3.85,;,-3.08,;-1.33,-3.85,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.47,;-5.34,-1.53,;-6.67,-.76,;-8.01,-1.53,;-8.01,-3.07,;-9.07,-3.69,;-6.67,-3.84,;-5.34,-3.07,;-6.67,-5.38,;-8.01,-6.16,;-9.07,-5.54,;-8,-7.7,;-6.67,-8.46,;-5.34,-7.69,;-5.34,-6.15,;-4.27,-5.53,)|
Show InChI InChI=1S/C23H22F3N5O/c1-13-9-14(27)12-31(11-13)20-7-8-28-10-19(20)30-23(32)18-6-5-17(26)22(29-18)21-15(24)3-2-4-16(21)25/h2-8,10,13-14H,9,11-12,27H2,1H3,(H,30,32)/t13-,14+/m1/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50500178
PNG
(CHEMBL3746984)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,(2.41,-6,;1.34,-5.39,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.47,;-5.34,-1.53,;-6.67,-.76,;-8.01,-1.53,;-8.01,-3.07,;-9.07,-3.69,;-6.67,-3.84,;-5.34,-3.07,;-6.67,-5.38,;-8.01,-6.16,;-9.07,-5.54,;-8,-7.7,;-6.67,-8.46,;-5.34,-7.69,;-5.34,-6.15,;-4.27,-5.53,)|
Show InChI InChI=1S/C22H20F3N5O/c23-14-4-1-5-15(24)20(14)21-16(25)6-7-17(28-21)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(26)12-30/h1,4-9,11,13H,2-3,10,12,26H2,(H,29,31)/t13-/m0/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50500176
PNG
(CHEMBL3676290)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H20F2N4OS/c22-15-5-2-6-16(23)19(15)21-27-18(11-29-21)20(28)26-17-10-25-8-7-14(17)12-3-1-4-13(24)9-12/h2,5-8,10-13H,1,3-4,9,24H2,(H,26,28)/t12-,13+/m1/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50500177
PNG
(CHEMBL3747207)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)C1CCCCC1 |r|
Show InChI InChI=1S/C22H30N6O/c23-16-7-4-12-28(14-16)20-10-11-25-13-19(20)27-22(29)21-17(24)8-9-18(26-21)15-5-2-1-3-6-15/h8-11,13,15-16H,1-7,12,14,23-24H2,(H,27,29)/t16-/m0/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM106857
PNG
(US8592455, 57)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H24F2N4O/c1-14-10-15(12-16(27)11-14)17-8-9-28-13-22(17)30-24(31)21-7-6-20(26)23(29-21)18-4-2-3-5-19(18)25/h2-9,13-16H,10-12,27H2,1H3,(H,30,31)/t14-,15+,16-/m0/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM106850
PNG
(US8592455, 50)
Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O2/c1-12-9-13(10-18(28)23(12)32)14-7-8-29-11-20(14)31-24(33)19-6-5-17(27)22(30-19)21-15(25)3-2-4-16(21)26/h2-8,11-13,18,23,32H,9-10,28H2,1H3,(H,31,33)/t12-,13+,18+,23+/m0/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50559296
PNG
(CHEMBL4781892)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50559297
PNG
(CHEMBL4763702)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50559298
PNG
(CHEMBL4742957)
Show SMILES CC[C@@]1(O)[C@@H](C)C[C@H](C[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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 1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50559299
PNG
(CHEMBL4781112)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|
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 1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50559300
PNG
(CHEMBL4796070)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50559301
PNG
(CHEMBL4758068)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50559302
PNG
(CHEMBL4792066)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM106870
PNG
(US8592455, 70)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM106801
PNG
(US8592455, 1)
Show SMILES C[C@@H]1C[C@H](O)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C24H22F3N3O2/c1-13-9-14(11-15(31)10-13)16-7-8-28-12-21(16)30-24(32)20-6-5-19(27)23(29-20)22-17(25)3-2-4-18(22)26/h2-8,12-15,31H,9-11H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM106917
PNG
(US8592455, 117)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H22F3N3O3/c1-12-9-13(10-20(31)23(12)32)14-7-8-28-11-19(14)30-24(33)18-6-5-17(27)22(29-18)21-15(25)3-2-4-16(21)26/h2-8,11-13,20,23,31-32H,9-10H2,1H3,(H,30,33)/t12-,13+,20+,23+/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50559303
PNG
(CHEMBL4741855)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.9,wD:1.0,5.5,3.10,(30.93,-25.95,;32.26,-26.73,;32.26,-28.27,;33.59,-29.05,;34.92,-28.29,;34.94,-26.75,;36.27,-25.99,;33.6,-25.96,;32.82,-24.63,;34.37,-24.62,;33.57,-30.59,;32.24,-31.35,;32.23,-32.89,;33.56,-33.67,;34.9,-32.91,;34.9,-31.37,;36.25,-30.61,;37.58,-31.38,;37.56,-32.92,;38.91,-30.62,;40.24,-31.4,;41.58,-30.63,;41.59,-29.09,;42.93,-28.33,;40.26,-28.32,;38.92,-29.08,;40.27,-26.78,;38.94,-26,;37.6,-26.76,;38.95,-24.46,;40.29,-23.7,;41.62,-24.47,;41.61,-26.01,;42.93,-26.79,)|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50559304
PNG
(CHEMBL4783935)
Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r|
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01279
BindingDB Entry DOI: 10.7270/Q24X5CHB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM106870
PNG
(US8592455, 70)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50500180
PNG
(CHEMBL3676284)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H21F2N5OS/c1-12-7-13(24)10-28(9-12)18-5-6-25-8-16(18)26-20(29)17-11-30-21(27-17)19-14(22)3-2-4-15(19)23/h2-6,8,11-13H,7,9-10,24H2,1H3,(H,26,29)/t12-,13+/m1/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))		BDBM50076428
PNG
(4-Fluoro-cyclohexanecarboxylic acid {2-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
Show InChI InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3
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 1n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50500181
PNG
(CHEMBL3676300)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F
Show InChI InChI=1S/C22H22F2N4OS/c1-12-7-13(9-14(25)8-12)15-5-6-26-10-18(15)27-21(29)19-11-30-22(28-19)20-16(23)3-2-4-17(20)24/h2-6,10-14H,7-9,25H2,1H3,(H,27,29)/t12-,13+,14-/m0/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
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<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay

J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))		BDBM50258529
PNG
(CHEMBL449158 | bryostatin 1)
Show SMILES CCC\C=C\C=C\C(=O)O[C@H]1\C(C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O)=C\C(=O)OC |r,t:43|
Show InChI InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...

J Nat Prod 79: 680-4 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01017
BindingDB Entry DOI: 10.7270/Q2BK1GXV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))		BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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 1.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]GTP-gamma-S, binding (Experi...

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
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 1.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Expe...

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))		BDBM50535777
PNG
(CHEMBL4565484)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(OC)cccc1OC)=C\C(=O)OC |r|
Show InChI InChI=1S/C41H54O14/c1-7-8-9-10-11-15-34(43)54-38-27(22-36(45)50-6)20-28-23-29(24-42)53-35(44)18-19-51-31-17-16-26(37-32(48-4)13-12-14-33(37)49-5)21-30(31)39(46)52-25-40(2,3)41(38,47)55-28/h12-14,16-17,21-22,28-29,38,42,47H,7-11,15,18-20,23-25H2,1-6H3/b27-22+/t28-,29+,38-,41+/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...

J Nat Prod 79: 680-4 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01017
BindingDB Entry DOI: 10.7270/Q2BK1GXV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50035989
PNG
(1-Methyl-4-(4-propylsulfanyl-[1,2,5]thiadiazol-3-y...)
Show SMILES CCCSc1nsnc1C1=CCN(C)CC1 |t:10|
Show InChI InChI=1S/C11H17N3S2/c1-3-8-15-11-10(12-16-13-11)9-4-6-14(2)7-5-9/h4H,3,5-8H2,1-2H3
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 1.5n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...

J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50407329
PNG
(CHEMBL2112938)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCF |c:4|
Show InChI InChI=1S/C10H14FN3S2/c1-14-5-2-3-8(7-14)9-10(13-16-12-9)15-6-4-11/h3H,2,4-7H2,1H3
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 1.80n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...

J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))		BDBM50535778
PNG
(CHEMBL4533216)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(OC(C)C)cccc1OC(C)C)=C\C(=O)OC |r|
Show InChI InChI=1S/C45H62O14/c1-9-10-11-12-13-17-38(47)58-42-31(24-40(49)52-8)22-32-25-33(26-46)57-39(48)20-21-53-35-19-18-30(23-34(35)43(50)54-27-44(6,7)45(42,51)59-32)41-36(55-28(2)3)15-14-16-37(41)56-29(4)5/h14-16,18-19,23-24,28-29,32-33,42,46,51H,9-13,17,20-22,25-27H2,1-8H3/b31-24+/t32-,33+,42-,45+/m0/s1
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 1.90n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...

J Nat Prod 79: 680-4 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01017
BindingDB Entry DOI: 10.7270/Q2BK1GXV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50407330
PNG
(CHEMBL2112939)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3
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 2.20n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...

J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)		BDBM50407331
PNG
(CHEMBL2112940)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCF |c:4|
Show InChI InChI=1S/C13H20FN3S2/c1-17-8-5-6-11(10-17)12-13(16-19-15-12)18-9-4-2-3-7-14/h6H,2-5,7-10H2,1H3
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 2.30n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...

J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))		BDBM50535789
PNG
(CHEMBL4574406)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(OC(C)C)cc1)=C\C(=O)OC |r|
Show InChI InChI=1S/C42H56O13/c1-7-8-9-10-11-12-36(44)54-39-30(23-38(46)49-6)21-32-24-33(25-43)53-37(45)19-20-50-35-18-15-29(28-13-16-31(17-14-28)52-27(2)3)22-34(35)40(47)51-26-41(4,5)42(39,48)55-32/h13-18,22-23,27,32-33,39,43,48H,7-12,19-21,24-26H2,1-6H3/b30-23+/t32-,33+,39-,42+/m0/s1
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 2.70n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...

J Nat Prod 79: 680-4 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01017
BindingDB Entry DOI: 10.7270/Q2BK1GXV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))		BDBM50535791
PNG
(CHEMBL4593581)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(C)noc1C)=C\C(=O)OC |r|
Show InChI InChI=1S/C38H51NO13/c1-7-8-9-10-11-12-31(41)50-35-26(19-33(43)46-6)17-27-20-28(21-40)49-32(42)15-16-47-30-14-13-25(34-23(2)39-52-24(34)3)18-29(30)36(44)48-22-37(4,5)38(35,45)51-27/h13-14,18-19,27-28,35,40,45H,7-12,15-17,20-22H2,1-6H3/b26-19+/t27-,28+,35-,38+/m0/s1
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 2.80n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...

J Nat Prod 79: 680-4 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01017
BindingDB Entry DOI: 10.7270/Q2BK1GXV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))		BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
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 2.90n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding (Experi...

J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
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