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Compile Data Set for Download or QSAR

Found 624 hits with Last Name = 'fink' and Initial = 'a'   
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
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194815
PNG
(4-(ethylthio)-6-phenyl-1,3,5-triazin-2-amine | CHE...)
Show SMILES CCSc1nc(N)nc(n1)-c1ccccc1
Show InChI InChI=1S/C11H12N4S/c1-2-16-11-14-9(13-10(12)15-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15)
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5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194818
PNG
(4-(3-(6-methoxypyridin-3-yl)phenyl)-6-(methylthio)...)
Show SMILES COc1ccc(cn1)-c1cccc(c1)-c1nc(N)nc(SC)n1
Show InChI InChI=1S/C16H15N5OS/c1-22-13-7-6-12(9-18-13)10-4-3-5-11(8-10)14-19-15(17)21-16(20-14)23-2/h3-9H,1-2H3,(H2,17,19,20,21)
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23n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50283607
PNG
(7-(2-Mercaptomethyl-3-phenyl-propionylamino)-hepta...)
Show SMILES OC(=O)CCCCCCNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C17H25NO3S/c19-16(20)10-6-1-2-7-11-18-17(21)15(13-22)12-14-8-4-3-5-9-14/h3-5,8-9,15,22H,1-2,6-7,10-13H2,(H,18,21)(H,19,20)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membrane


Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194824
PNG
(4-(3-(1H-indol-5-yl)phenyl)-6-(methylthio)-1,3,5-t...)
Show SMILES CSc1nc(N)nc(n1)-c1cccc(c1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H15N5S/c1-24-18-22-16(21-17(19)23-18)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-20-15/h2-10,20H,1H3,(H2,19,21,22,23)
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31n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194821
PNG
(2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(4-hydroxyp...)
Show SMILES CCOc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C20H17N3O3/c1-2-26-19-9-13(5-8-18(19)25)15-10-17(23-20(22)16(15)11-21)12-3-6-14(24)7-4-12/h3-10,24-25H,2H2,1H3,(H2,22,23)
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42n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194814
PNG
(2-amino-4-(4-fluorophenyl)-6-phenylnicotinonitrile...)
Show SMILES Nc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C18H12FN3/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)22-18(21)16(15)11-20/h1-10H,(H2,21,22)
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59n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194815
PNG
(4-(ethylthio)-6-phenyl-1,3,5-triazin-2-amine | CHE...)
Show SMILES CCSc1nc(N)nc(n1)-c1ccccc1
Show InChI InChI=1S/C11H12N4S/c1-2-16-11-14-9(13-10(12)15-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15)
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67n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194814
PNG
(2-amino-4-(4-fluorophenyl)-6-phenylnicotinonitrile...)
Show SMILES Nc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C18H12FN3/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)22-18(21)16(15)11-20/h1-10H,(H2,21,22)
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87n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194817
PNG
(2-amino-4-(2-chlorophenyl)-6-phenylnicotinonitrile...)
Show SMILES Nc1nc(cc(-c2ccccc2Cl)c1C#N)-c1ccccc1
Show InChI InChI=1S/C18H12ClN3/c19-16-9-5-4-8-13(16)14-10-17(12-6-2-1-3-7-12)22-18(21)15(14)11-20/h1-10H,(H2,21,22)
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89n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194822
PNG
(2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxy...)
Show SMILES COc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C19H15N3O3/c1-25-18-8-12(4-7-17(18)24)14-9-16(22-19(21)15(14)10-20)11-2-5-13(23)6-3-11/h2-9,23-24H,1H3,(H2,21,22)
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94n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194825
PNG
(2-amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinoni...)
Show SMILES Nc1nc(cc(-c2ccc(F)cc2)c1C#N)C1CC1
Show InChI InChI=1S/C15H12FN3/c16-11-5-3-9(4-6-11)12-7-14(10-1-2-10)19-15(18)13(12)8-17/h3-7,10H,1-2H2,(H2,18,19)
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106n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194811
PNG
(2-amino-6-phenyl-4-p-tolylnicotinonitrile | CHEMBL...)
Show SMILES Cc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccccc1
Show InChI InChI=1S/C19H15N3/c1-13-7-9-14(10-8-13)16-11-18(15-5-3-2-4-6-15)22-19(21)17(16)12-20/h2-11H,1H3,(H2,21,22)
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118n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194822
PNG
(2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxy...)
Show SMILES COc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C19H15N3O3/c1-25-18-8-12(4-7-17(18)24)14-9-16(22-19(21)15(14)10-20)11-2-5-13(23)6-3-11/h2-9,23-24H,1H3,(H2,21,22)
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151n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194823
PNG
(2-amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile...)
Show SMILES Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C18H12ClN3/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)22-18(21)16(15)11-20/h1-10H,(H2,21,22)
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192n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194823
PNG
(2-amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile...)
Show SMILES Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C18H12ClN3/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)22-18(21)16(15)11-20/h1-10H,(H2,21,22)
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201n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194820
PNG
(2-amino-4-(3,4-dichlorophenyl)-6-(pyridin-3-yl)nic...)
Show SMILES Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1cccnc1
Show InChI InChI=1S/C17H10Cl2N4/c18-14-4-3-10(6-15(14)19)12-7-16(11-2-1-5-22-9-11)23-17(21)13(12)8-20/h1-7,9H,(H2,21,23)
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210n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194824
PNG
(4-(3-(1H-indol-5-yl)phenyl)-6-(methylthio)-1,3,5-t...)
Show SMILES CSc1nc(N)nc(n1)-c1cccc(c1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H15N5S/c1-24-18-22-16(21-17(19)23-18)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-20-15/h2-10,20H,1H3,(H2,19,21,22,23)
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218n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194826
PNG
(2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopen...)
Show SMILES Nc1nc2CCCc2c(-c2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C15H12FN3/c16-10-6-4-9(5-7-10)14-11-2-1-3-13(11)19-15(18)12(14)8-17/h4-7H,1-3H2,(H2,18,19)
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232n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194817
PNG
(2-amino-4-(2-chlorophenyl)-6-phenylnicotinonitrile...)
Show SMILES Nc1nc(cc(-c2ccccc2Cl)c1C#N)-c1ccccc1
Show InChI InChI=1S/C18H12ClN3/c19-16-9-5-4-8-13(16)14-10-17(12-6-2-1-3-7-12)22-18(21)15(14)11-20/h1-10H,(H2,21,22)
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239n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194821
PNG
(2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(4-hydroxyp...)
Show SMILES CCOc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C20H17N3O3/c1-2-26-19-9-13(5-8-18(19)25)15-10-17(23-20(22)16(15)11-21)12-3-6-14(24)7-4-12/h3-10,24-25H,2H2,1H3,(H2,22,23)
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267n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194811
PNG
(2-amino-6-phenyl-4-p-tolylnicotinonitrile | CHEMBL...)
Show SMILES Cc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccccc1
Show InChI InChI=1S/C19H15N3/c1-13-7-9-14(10-8-13)16-11-18(15-5-3-2-4-6-15)22-19(21)17(16)12-20/h2-11H,1H3,(H2,21,22)
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274n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194813
PNG
(CHEMBL221220 | N-(4-fluorobenzyl)-4-(thiophen-2-yl...)
Show SMILES Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc1
Show InChI InChI=1S/C16H11F4N3S/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23)
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287n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194816
PNG
(CHEMBL221219 | N-(4-fluorobenzyl)-4-phenyl-6-(trif...)
Show SMILES Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C18H13F4N3/c19-14-8-6-12(7-9-14)11-23-17-24-15(13-4-2-1-3-5-13)10-16(25-17)18(20,21)22/h1-10H,11H2,(H,23,24,25)
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287n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194812
PNG
(CHEMBL220287 | N-(4-fluorobenzyl)-4-(3-methoxyphen...)
Show SMILES COc1cccc(c1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F
Show InChI InChI=1S/C19H15F4N3O/c1-27-15-4-2-3-13(9-15)16-10-17(19(21,22)23)26-18(25-16)24-11-12-5-7-14(20)8-6-12/h2-10H,11H2,1H3,(H,24,25,26)
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290n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194819
PNG
(2-amino-6-(2-chlorophenyl)-4-(4-chlorophenyl)nicot...)
Show SMILES Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1Cl
Show InChI InChI=1S/C18H11Cl2N3/c19-12-7-5-11(6-8-12)14-9-17(23-18(22)15(14)10-21)13-3-1-2-4-16(13)20/h1-9H,(H2,22,23)
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403n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50194827
PNG
(CHEMBL374236 | N-(4-fluorobenzyl)-4-(4-chloropheny...)
Show SMILES Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H12ClF4N3/c19-13-5-3-12(4-6-13)15-9-16(18(21,22)23)26-17(25-15)24-10-11-1-7-14(20)8-2-11/h1-9H,10H2,(H,24,25,26)
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454n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194818
PNG
(4-(3-(6-methoxypyridin-3-yl)phenyl)-6-(methylthio)...)
Show SMILES COc1ccc(cn1)-c1cccc(c1)-c1nc(N)nc(SC)n1
Show InChI InChI=1S/C16H15N5OS/c1-22-13-7-6-12(9-18-13)10-4-3-5-11(8-10)14-19-15(17)21-16(20-14)23-2/h3-9H,1-2H3,(H2,17,19,20,21)
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840n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194825
PNG
(2-amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinoni...)
Show SMILES Nc1nc(cc(-c2ccc(F)cc2)c1C#N)C1CC1
Show InChI InChI=1S/C15H12FN3/c16-11-5-3-9(4-6-11)12-7-14(10-1-2-10)19-15(18)13(12)8-17/h3-7,10H,1-2H2,(H2,18,19)
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865n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194819
PNG
(2-amino-6-(2-chlorophenyl)-4-(4-chlorophenyl)nicot...)
Show SMILES Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1Cl
Show InChI InChI=1S/C18H11Cl2N3/c19-12-7-5-11(6-8-12)14-9-17(23-18(22)15(14)10-21)13-3-1-2-4-16(13)20/h1-9H,(H2,22,23)
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1.74E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50281202
PNG
((3S,5S)-3,5-Dibenzyl-3,5-bis-hydroxymethyl-1-oxo-t...)
Show SMILES OC[C@]1(Cc2ccccc2)C[S+]([O-])C[C@](CO)(Cc2ccccc2)C1O
Show InChI InChI=1S/C21H26O4S/c22-13-20(11-17-7-3-1-4-8-17)15-26(25)16-21(14-23,19(20)24)12-18-9-5-2-6-10-18/h1-10,19,22-24H,11-16H2/t19?,20-,21-,26?/m1/s1
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7.00E+3n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.


Bioorg Med Chem Lett 3: 2717-2722 (1993)


Article DOI: 10.1016/S0960-894X(01)80749-6
BindingDB Entry DOI: 10.7270/Q2ZP4623
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194827
PNG
(CHEMBL374236 | N-(4-fluorobenzyl)-4-(4-chloropheny...)
Show SMILES Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H12ClF4N3/c19-13-5-3-12(4-6-13)15-9-16(18(21,22)23)26-17(25-15)24-10-11-1-7-14(20)8-2-11/h1-9H,10H2,(H,24,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194812
PNG
(CHEMBL220287 | N-(4-fluorobenzyl)-4-(3-methoxyphen...)
Show SMILES COc1cccc(c1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F
Show InChI InChI=1S/C19H15F4N3O/c1-27-15-4-2-3-13(9-15)16-10-17(19(21,22)23)26-18(25-16)24-11-12-5-7-14(20)8-6-12/h2-10H,11H2,1H3,(H,24,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194816
PNG
(CHEMBL221219 | N-(4-fluorobenzyl)-4-phenyl-6-(trif...)
Show SMILES Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C18H13F4N3/c19-14-8-6-12(7-9-14)11-23-17-24-15(13-4-2-1-3-5-13)10-16(25-17)18(20,21)22/h1-10H,11H2,(H,23,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194820
PNG
(2-amino-4-(3,4-dichlorophenyl)-6-(pyridin-3-yl)nic...)
Show SMILES Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1cccnc1
Show InChI InChI=1S/C17H10Cl2N4/c18-14-4-3-10(6-15(14)19)12-7-16(11-2-1-5-22-9-11)23-17(21)13(12)8-20/h1-7,9H,(H2,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50194813
PNG
(CHEMBL221220 | N-(4-fluorobenzyl)-4-(thiophen-2-yl...)
Show SMILES Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc1
Show InChI InChI=1S/C16H11F4N3S/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant adenosine A1 receptor


Bioorg Med Chem Lett 16: 5993-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.116
BindingDB Entry DOI: 10.7270/Q2J102TH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50281205
PNG
((3R,5R)-3,5-Dibenzyl-3,4,5-trihydroxy-cyclohexanon...)
Show SMILES OC1[C@@](O)(Cc2ccccc2)CC(=O)C[C@]1(O)Cc1ccccc1
Show InChI InChI=1S/C20H22O4/c21-17-13-19(23,11-15-7-3-1-4-8-15)18(22)20(24,14-17)12-16-9-5-2-6-10-16/h1-10,18,22-24H,11-14H2/t19-,20-/m1/s1
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1.00E+4n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.


Bioorg Med Chem Lett 3: 2717-2722 (1993)


Article DOI: 10.1016/S0960-894X(01)80749-6
BindingDB Entry DOI: 10.7270/Q2ZP4623
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50281202
PNG
((3S,5S)-3,5-Dibenzyl-3,5-bis-hydroxymethyl-1-oxo-t...)
Show SMILES OC[C@]1(Cc2ccccc2)C[S+]([O-])C[C@](CO)(Cc2ccccc2)C1O
Show InChI InChI=1S/C21H26O4S/c22-13-20(11-17-7-3-1-4-8-17)15-26(25)16-21(14-23,19(20)24)12-18-9-5-2-6-10-18/h1-10,19,22-24H,11-16H2/t19?,20-,21-,26?/m1/s1
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1.90E+4n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.


Bioorg Med Chem Lett 3: 2717-2722 (1993)


Article DOI: 10.1016/S0960-894X(01)80749-6
BindingDB Entry DOI: 10.7270/Q2ZP4623
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50281207
PNG
((2S,6S)-2,6-Dibenzyl-2,6-bis-hydroxymethyl-cyclohe...)
Show SMILES OC[C@]1(Cc2ccccc2)C[C@H](O)C[C@](CO)(Cc2ccccc2)[C@H]1O
Show InChI InChI=1S/C22H28O4/c23-15-21(11-17-7-3-1-4-8-17)13-19(25)14-22(16-24,20(21)26)12-18-9-5-2-6-10-18/h1-10,19-20,23-26H,11-16H2/t19-,20-,21-,22-/m0/s1
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4.80E+4n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.


Bioorg Med Chem Lett 3: 2717-2722 (1993)


Article DOI: 10.1016/S0960-894X(01)80749-6
BindingDB Entry DOI: 10.7270/Q2ZP4623
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50281204
PNG
((3S,5S)-3,5-Dibenzyl-4-hydroxy-3,5-bis-hydroxymeth...)
Show SMILES OC[C@]1(Cc2ccccc2)CC(=O)C[C@](CO)(Cc2ccccc2)C1O
Show InChI InChI=1S/C22H26O4/c23-15-21(11-17-7-3-1-4-8-17)13-19(25)14-22(16-24,20(21)26)12-18-9-5-2-6-10-18/h1-10,20,23-24,26H,11-16H2/t21-,22-/m0/s1
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6.20E+4n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.


Bioorg Med Chem Lett 3: 2717-2722 (1993)


Article DOI: 10.1016/S0960-894X(01)80749-6
BindingDB Entry DOI: 10.7270/Q2ZP4623
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50281206
PNG
((2S,6S)-2,6-Dibenzyl-2,6-bis-hydroxymethyl-cyclohe...)
Show SMILES OC[C@]1(Cc2ccccc2)C[C@H](O)C[C@](CO)(Cc2ccccc2)[C@@H]1O
Show InChI InChI=1S/C22H28O4/c23-15-21(11-17-7-3-1-4-8-17)13-19(25)14-22(16-24,20(21)26)12-18-9-5-2-6-10-18/h1-10,19-20,23-26H,11-16H2/t19-,20+,21-,22-/m0/s1
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8.30E+5n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.


Bioorg Med Chem Lett 3: 2717-2722 (1993)


Article DOI: 10.1016/S0960-894X(01)80749-6
BindingDB Entry DOI: 10.7270/Q2ZP4623
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50281208
PNG
((1S,3S)-1,3-Dibenzyl-cyclohexane-1,2,3-triol | CHE...)
Show SMILES OC1[C@@](O)(Cc2ccccc2)CCC[C@]1(O)Cc1ccccc1
Show InChI InChI=1S/C20H24O3/c21-18-19(22,14-16-8-3-1-4-9-16)12-7-13-20(18,23)15-17-10-5-2-6-11-17/h1-6,8-11,18,21-23H,7,12-15H2/t19-,20-/m0/s1
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>2.00E+6n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.


Bioorg Med Chem Lett 3: 2717-2722 (1993)


Article DOI: 10.1016/S0960-894X(01)80749-6
BindingDB Entry DOI: 10.7270/Q2ZP4623
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50281203
PNG
((2S,6S)-2,6-Dibenzyl-cyclohexane-1,4-diol | CHEMBL...)
Show SMILES O[C@H]1C[C@H](Cc2ccccc2)[C@H](O)[C@@H](Cc2ccccc2)C1
Show InChI InChI=1S/C20H24O2/c21-19-13-17(11-15-7-3-1-4-8-15)20(22)18(14-19)12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-,19-,20-/m0/s1
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>2.00E+6n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.


Bioorg Med Chem Lett 3: 2717-2722 (1993)


Article DOI: 10.1016/S0960-894X(01)80749-6
BindingDB Entry DOI: 10.7270/Q2ZP4623
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50011972
PNG
(CHEMBL385189 | Sar-Arg-Val-Tyr-Ile-His-Pro-Thi-OH)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccs1)C(O)=O
Show InChI InChI=1S/C47H69N13O10S/c1-6-27(4)39(44(67)56-34(21-29-23-51-25-53-29)45(68)60-18-8-12-36(60)42(65)57-35(46(69)70)22-31-10-9-19-71-31)59-41(64)33(20-28-13-15-30(61)16-14-28)55-43(66)38(26(2)3)58-40(63)32(54-37(62)24-50-5)11-7-17-52-47(48)49/h9-10,13-16,19,23,25-27,32-36,38-39,50,61H,6-8,11-12,17-18,20-22,24H2,1-5H3,(H,51,53)(H,54,62)(H,55,66)(H,56,67)(H,57,65)(H,58,63)(H,59,64)(H,69,70)(H4,48,49,52)/t27-,32-,33-,34-,35-,36-,38-,39-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards angiotensin II receptor in rat mesenteric membranes.


J Med Chem 34: 1514-7 (1991)


Article DOI: 10.1021/jm00108a043
BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50230790
PNG
(CHEMBL292892)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C23H23N3O6S/c1-2-3-6-21-24-13-18(10-17(23(29)30)11-19-5-4-9-33-19)25(21)14-16-8-7-15(22(27)28)12-20(16)26(31)32/h4-5,7-10,12-13H,2-3,6,11,14H2,1H3,(H,27,28)(H,29,30)/b17-10+
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n/an/a 0.150n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries


J Med Chem 36: 1880-92 (1993)


Article DOI: 10.1021/jm00065a011
BindingDB Entry DOI: 10.7270/Q2PK0JC7
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50230779
PNG
(CHEMBL294686)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N6O2S/c1-2-3-6-21-24-14-19(29(21)15-16-7-9-17(10-8-16)23(30)31)12-18(22-25-27-28-26-22)13-20-5-4-11-32-20/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,30,31)(H,25,26,27,28)/b18-12+
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n/an/a 0.300n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries


J Med Chem 36: 1880-92 (1993)


Article DOI: 10.1021/jm00065a011
BindingDB Entry DOI: 10.7270/Q2PK0JC7
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50230811
PNG
(CHEMBL293091)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)-c1nn[nH]n1
Show InChI InChI=1S/C23H24N6O2S/c1-2-3-6-21-24-14-19(12-18(23(30)31)13-20-5-4-11-32-20)29(21)15-16-7-9-17(10-8-16)22-25-27-28-26-22/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,30,31)(H,25,26,27,28)/b18-12+
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n/an/a 0.400n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries


J Med Chem 36: 1880-92 (1993)


Article DOI: 10.1021/jm00065a011
BindingDB Entry DOI: 10.7270/Q2PK0JC7
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50230778
PNG
(CHEMBL56211)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C23H25N3O3S/c1-2-3-6-21-25-14-19(12-18(23(28)29)13-20-5-4-11-30-20)26(21)15-16-7-9-17(10-8-16)22(24)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H2,24,27)(H,28,29)/b18-12+
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n/an/a 0.560n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries


J Med Chem 36: 1880-92 (1993)


Article DOI: 10.1021/jm00065a011
BindingDB Entry DOI: 10.7270/Q2PK0JC7
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50230771
PNG
(CHEMBL55510)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C23H24N2O5S/c1-2-3-6-21-24-13-17(11-16(22(27)28)12-18-5-4-9-31-18)25(21)14-15-7-8-19(23(29)30)20(26)10-15/h4-5,7-11,13,26H,2-3,6,12,14H2,1H3,(H,27,28)(H,29,30)/b16-11+
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n/an/a 0.590n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries


J Med Chem 36: 1880-92 (1993)


Article DOI: 10.1021/jm00065a011
BindingDB Entry DOI: 10.7270/Q2PK0JC7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50070692
PNG
(CHEMBL99240)
Show SMILES CCCCCCOc1nsnc1[C@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C34H50N8O8/c1-3-20(2)28(42-30(46)24(12-7-8-16-35)39-29(45)23-19-22(43)14-15-27(23)44)32(48)41-26(18-21-10-5-4-6-11-21)31(47)40-25(33(49)50)13-9-17-38-34(36)37/h4-6,10-11,14-15,19-20,24-26,28,43-44H,3,7-9,12-13,16-18,35H2,1-2H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)(H,49,50)(H4,36,37,38)/t20?,24-,25-,26-,28-/m0/s1
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n/an/a 0.730n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50230806
PNG
(CHEMBL294415)
Show SMILES CCCCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H28N2O4S/c1-2-3-4-5-8-23-26-16-21(14-20(25(30)31)15-22-7-6-13-32-22)27(23)17-18-9-11-19(12-10-18)24(28)29/h6-7,9-14,16H,2-5,8,15,17H2,1H3,(H,28,29)(H,30,31)/b20-14+
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n/an/a 0.800n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries


J Med Chem 36: 1880-92 (1993)


Article DOI: 10.1021/jm00065a011
BindingDB Entry DOI: 10.7270/Q2PK0JC7
More data for this
Ligand-Target Pair
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