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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'so' and Initial = 'oy'   
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
Aromatase


(Homo sapiens (Human))		BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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 7.60n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for Cytochrome P450 19A1

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Rattus norvegicus)		BDBM50161586
PNG
(4-{(2S,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m1/s1
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 11n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Apparent Ki for rat Lanosterol 14-alpha demethylase

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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 13n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for Cytochrome P450 19A1

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for corticoid 11-beta-hydroxylase

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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 25n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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 28n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for progesterone 6-beta-hydroxylase of hepatic microsomes

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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 33n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for progesterone 6-beta-hydroxylase of hepatic microsomes

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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 35n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for corticoid 11-beta-hydroxylase

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Rattus norvegicus)		BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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 37n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomes

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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 40n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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 40.4n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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 54n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for progesterone 17alpha,20-lyase

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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 64n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Rattus norvegicus)		BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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 65n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomes

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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 109n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for cholesterol 17-alpha-hydroxylase

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Rattus norvegicus)		BDBM31653
PNG
(CHEMBL421109 | imidazole-dioxolane, 5)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1
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 117n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Apparent Ki for rat Lanosterol 14-alpha demethylase

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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 447n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for progesterone 17-alpha,20-lyase

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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 1.63E+3n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity for cholesterol 17-alpha-hydroxylase

J Med Chem 36: 2235-7 (1993)


BindingDB Entry DOI: 10.7270/Q2ZW1K0P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50461210
PNG
(CHEMBL4226527)
Show SMILES CN(C)CCCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCCCCCCCCCCC(=O)NCc3nc4ccc(cc4[nH]3)-c3nc4ccc(cc4[nH]3)C(=O)NCCCN(C)C)[nH]c2c1
Show InChI InChI=1S/C55H70N14O4/c1-68(2)28-14-26-56-54(72)38-20-24-42-46(32-38)66-52(64-42)36-18-22-40-44(30-36)62-48(60-40)34-58-50(70)16-12-10-8-6-5-7-9-11-13-17-51(71)59-35-49-61-41-23-19-37(31-45(41)63-49)53-65-43-25-21-39(33-47(43)67-53)55(73)57-27-15-29-69(3)4/h18-25,30-33H,5-17,26-29,34-35H2,1-4H3,(H,56,72)(H,57,73)(H,58,70)(H,59,71)(H,60,62)(H,61,63)(H,64,66)(H,65,67)
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n/an/a 60n/an/an/an/an/an/a



Engelhardt Institute of Molecular Biology Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase

Bioorg Med Chem 26: 2302-2309 (2018)


Article DOI: 10.1016/j.bmc.2018.03.018
BindingDB Entry DOI: 10.7270/Q23X8986
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15744
PNG
(1-(2,4-difluorophenyl)-4-{[3-(pyridin-3-yl)phenyl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C21H14F2N4O/c22-16-6-7-19(18(23)10-16)27-21(24)17(12-26-27)20(28)14-4-1-3-13(9-14)15-5-2-8-25-11-15/h1-12H,24H2
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n/an/a 180n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15749
PNG
(1-[2-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCC2(O)CCCC2)c1
Show InChI InChI=1S/C23H24FN3O2/c24-18-6-8-19(9-7-18)27-22(25)20(15-26-27)21(28)17-5-3-4-16(14-17)10-13-23(29)11-1-2-12-23/h3-9,14-15,29H,1-2,10-13,25H2
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n/an/a 230n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15743
PNG
(1-(2,4-difluorophenyl)-4-{[3-(pyridin-4-yl)phenyl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C21H14F2N4O/c22-16-4-5-19(18(23)11-16)27-21(24)17(12-26-27)20(28)15-3-1-2-14(10-15)13-6-8-25-9-7-13/h1-12H,24H2
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n/an/a 310n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15745
PNG
(1-(2,4-difluorophenyl)-4-{[3-(pyridin-3-yloxy)phen...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(Oc2cccnc2)c1
Show InChI InChI=1S/C21H14F2N4O2/c22-14-6-7-19(18(23)10-14)27-21(24)17(12-26-27)20(28)13-3-1-4-15(9-13)29-16-5-2-8-25-11-16/h1-12H,24H2
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n/an/a 340n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15750
PNG
(4-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]...)
Show SMILES CC(C)(O)CCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H22FN3O2/c1-21(2,27)11-10-14-4-3-5-15(12-14)19(26)18-13-24-25(20(18)23)17-8-6-16(22)7-9-17/h3-9,12-13,27H,10-11,23H2,1-2H3
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n/an/a 590n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15740
PNG
(1-(4-fluorophenyl)-4-{[3-(pyridin-3-yl)phenyl]carb...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C21H15FN4O/c22-17-6-8-18(9-7-17)26-21(23)19(13-25-26)20(27)15-4-1-3-14(11-15)16-5-2-10-24-12-16/h1-13H,23H2
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n/an/a 780n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15748
PNG
(1-(4-fluorophenyl)-4-{[3-(2-methanesulfonylethyl)p...)
Show SMILES CS(=O)(=O)CCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O3S/c1-27(25,26)10-9-13-3-2-4-14(11-13)18(24)17-12-22-23(19(17)21)16-7-5-15(20)6-8-16/h2-8,11-12H,9-10,21H2,1H3
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n/an/a 790n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15746
PNG
(2-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCO)c1
Show InChI InChI=1S/C18H16FN3O2/c19-14-4-6-15(7-5-14)22-18(20)16(11-21-22)17(24)13-3-1-2-12(10-13)8-9-23/h1-7,10-11,23H,8-9,20H2
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n/an/a 850n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15741
PNG
(1-(4-fluorophenyl)-4-{[4-(pyridin-3-yl)phenyl]carb...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H15FN4O/c22-17-7-9-18(10-8-17)26-21(23)19(13-25-26)20(27)15-5-3-14(4-6-15)16-2-1-11-24-12-16/h1-13H,23H2
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n/an/a 980n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15718
PNG
((5-Amino-1-O-tolyl-1H-pyrazol-4-yl)phenylmethanone...)
Show SMILES Cc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N
Show InChI InChI=1S/C17H15N3O/c1-12-7-5-6-10-15(12)20-17(18)14(11-19-20)16(21)13-8-3-2-4-9-13/h2-11H,18H2,1H3
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n/an/a 1.08E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15720
PNG
(4-benzoyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine | ...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H12FN3O/c17-12-6-8-13(9-7-12)20-16(18)14(10-19-20)15(21)11-4-2-1-3-5-11/h1-10H,18H2
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n/an/a 1.10E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50545166
PNG
(CHEMBL4649461)
Show SMILES CN(C)CCCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCCCN3CCN(CCCCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)C(=O)NCCCN(C)C)CC3)[nH]c2c1
Show InChI InChI=1S/C56H72N16O4/c1-69(2)23-9-21-57-55(75)39-15-19-43-47(33-39)67-53(65-43)37-13-17-41-45(31-37)63-49(61-41)35-59-51(73)11-5-7-25-71-27-29-72(30-28-71)26-8-6-12-52(74)60-36-50-62-42-18-14-38(32-46(42)64-50)54-66-44-20-16-40(34-48(44)68-54)56(76)58-22-10-24-70(3)4/h13-20,31-34H,5-12,21-30,35-36H2,1-4H3,(H,57,75)(H,58,76)(H,59,73)(H,60,74)(H,61,63)(H,62,64)(H,65,67)(H,66,68)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15753
PNG
((2R)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15747
PNG
(2-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCS(N)(=O)=O)c1
Show InChI InChI=1S/C18H17FN4O3S/c19-14-4-6-15(7-5-14)23-18(20)16(11-22-23)17(24)13-3-1-2-12(10-13)8-9-27(21,25)26/h1-7,10-11H,8-9,20H2,(H2,21,25,26)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15725
PNG
(1-(4-fluorophenyl)-4-({3-[2-(morpholin-4-yl)ethoxy...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C22H23FN4O3/c23-17-4-6-18(7-5-17)27-22(24)20(15-25-27)21(28)16-2-1-3-19(14-16)30-13-10-26-8-11-29-12-9-26/h1-7,14-15H,8-13,24H2
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n/an/a 1.27E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15742
PNG
(1-(4-fluorophenyl)-4-{[3-(pyridin-4-yl)phenyl]carb...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C21H15FN4O/c22-17-4-6-18(7-5-17)26-21(23)19(13-25-26)20(27)16-3-1-2-15(12-16)14-8-10-24-11-9-14/h1-13H,23H2
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n/an/a 1.28E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15734
PNG
(1-(4-fluorophenyl)-4-({3-[3-(piperidin-1-yl)prop-1...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCN1CCCCC1
Show InChI InChI=1S/C24H23FN4O/c25-20-9-11-21(12-10-20)29-24(26)22(17-27-29)23(30)19-8-4-6-18(16-19)7-5-15-28-13-2-1-3-14-28/h4,6,8-12,16-17H,1-3,13-15,26H2
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n/an/a 1.32E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15728
PNG
(1-(4-fluorophenyl)-4-({3-[2-(4-methylpiperazin-1-y...)
Show SMILES CN1CCN(CCc2cccc(c2)C(=O)c2cnn(c2N)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H26FN5O/c1-27-11-13-28(14-12-27)10-9-17-3-2-4-18(15-17)22(30)21-16-26-29(23(21)25)20-7-5-19(24)6-8-20/h2-8,15-16H,9-14,25H2,1H3
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n/an/a 1.64E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15735
PNG
(1-(4-fluorophenyl)-4-({3-[3-(morpholin-4-yl)prop-1...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCN1CCOCC1
Show InChI InChI=1S/C23H21FN4O2/c24-19-6-8-20(9-7-19)28-23(25)21(16-26-28)22(29)18-5-1-3-17(15-18)4-2-10-27-11-13-30-14-12-27/h1,3,5-9,15-16H,10-14,25H2
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n/an/a 1.72E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15737
PNG
(1-(4-fluorophenyl)-4-({3-[3-(morpholin-4-yl)propyl...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCCN2CCOCC2)c1
Show InChI InChI=1S/C23H25FN4O2/c24-19-6-8-20(9-7-19)28-23(25)21(16-26-28)22(29)18-5-1-3-17(15-18)4-2-10-27-11-13-30-14-12-27/h1,3,5-9,15-16H,2,4,10-14,25H2
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n/an/a 1.74E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50545168
PNG
(CHEMBL4647024)
Show SMILES CN(C)CCCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCCN3CCN(CCCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)C(=O)NCCCN(C)C)CC3)[nH]c2c1
Show InChI InChI=1S/C54H68N16O4/c1-67(2)21-7-19-55-53(73)37-13-17-41-45(31-37)65-51(63-41)35-11-15-39-43(29-35)61-47(59-39)33-57-49(71)9-5-23-69-25-27-70(28-26-69)24-6-10-50(72)58-34-48-60-40-16-12-36(30-44(40)62-48)52-64-42-18-14-38(32-46(42)66-52)54(74)56-20-8-22-68(3)4/h11-18,29-32H,5-10,19-28,33-34H2,1-4H3,(H,55,73)(H,56,74)(H,57,71)(H,58,72)(H,59,61)(H,60,62)(H,63,65)(H,64,66)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15739
PNG
(1-(4-fluorophenyl)-4-({3-[2-(piperidin-1-yl)ethoxy...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OCCN2CCCCC2)c1
Show InChI InChI=1S/C23H25FN4O2/c24-18-7-9-19(10-8-18)28-23(25)21(16-26-28)22(29)17-5-4-6-20(15-17)30-14-13-27-11-2-1-3-12-27/h4-10,15-16H,1-3,11-14,25H2
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n/an/a 1.84E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15726
PNG
(1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)p...)
Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H22FN5O/c1-25-9-11-26(12-10-25)18-4-2-3-15(13-18)20(28)19-14-24-27(21(19)23)17-7-5-16(22)6-8-17/h2-8,13-14H,9-12,23H2,1H3
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n/an/a 2.00E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50545170
PNG
(CHEMBL4640673)
Show SMILES CN(C)CCCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CN3CCN(CC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)C(=O)NCCCN(C)C)CC3)[nH]c2c1
Show InChI InChI=1S/C50H60N16O4/c1-63(2)17-5-15-51-49(69)33-9-13-37-41(25-33)61-47(59-37)31-7-11-35-39(23-31)57-43(55-35)27-53-45(67)29-65-19-21-66(22-20-65)30-46(68)54-28-44-56-36-12-8-32(24-40(36)58-44)48-60-38-14-10-34(26-42(38)62-48)50(70)52-16-6-18-64(3)4/h7-14,23-26H,5-6,15-22,27-30H2,1-4H3,(H,51,69)(H,52,70)(H,53,67)(H,54,68)(H,55,57)(H,56,58)(H,59,61)(H,60,62)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15732
PNG
(4-({3-[3-(dimethylamino)prop-1-yn-1-yl]phenyl}carb...)
Show SMILES CN(C)CC#Cc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H19FN4O/c1-25(2)12-4-6-15-5-3-7-16(13-15)20(27)19-14-24-26(21(19)23)18-10-8-17(22)9-11-18/h3,5,7-11,13-14H,12,23H2,1-2H3
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n/an/a 2.28E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15714
PNG
((5-Amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone ...)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3O/c17-16-14(15(20)12-7-3-1-4-8-12)11-18-19(16)13-9-5-2-6-10-13/h1-11H,17H2
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n/an/a 2.30E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15727
PNG
(4-{[3-(2-aminoethyl)phenyl]carbonyl}-1-(4-fluoroph...)
Show SMILES NCCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4O/c19-14-4-6-15(7-5-14)23-18(21)16(11-22-23)17(24)13-3-1-2-12(10-13)8-9-20/h1-7,10-11H,8-9,20-21H2
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n/an/a 2.44E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50545167
PNG
(CHEMBL4649072)
Show SMILES CN(C)CCCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCN3CCN(CCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)C(=O)NCCCN(C)C)CC3)[nH]c2c1
Show InChI InChI=1S/C52H64N16O4/c1-65(2)19-5-17-53-51(71)35-9-13-39-43(29-35)63-49(61-39)33-7-11-37-41(27-33)59-45(57-37)31-55-47(69)15-21-67-23-25-68(26-24-67)22-16-48(70)56-32-46-58-38-12-8-34(28-42(38)60-46)50-62-40-14-10-36(30-44(40)64-50)52(72)54-18-6-20-66(3)4/h7-14,27-30H,5-6,15-26,31-32H2,1-4H3,(H,53,71)(H,54,72)(H,55,69)(H,56,70)(H,57,59)(H,58,60)(H,61,63)(H,62,64)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15733
PNG
(1-(4-fluorophenyl)-4-({3-[3-(4-methylpiperazin-1-y...)
Show SMILES CN1CCN(CC#Cc2cccc(c2)C(=O)c2cnn(c2N)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H24FN5O/c1-28-12-14-29(15-13-28)11-3-5-18-4-2-6-19(16-18)23(31)22-17-27-30(24(22)26)21-9-7-20(25)8-10-21/h2,4,6-10,16-17H,11-15,26H2,1H3
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n/an/a 2.65E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
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