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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'pino' and Initial = 'mj'   
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
Thymidylate synthase


(Escherichia coli)		BDBM50005335
PNG
(2-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)C(=O)NC(CCC(O)=O)C(O)=O)c3cc2[nH]1
Show InChI InChI=1S/C23H25N5O5/c24-23-26-17-10-15-2-1-9-28(19(15)11-18(17)27-23)12-13-3-5-14(6-4-13)21(31)25-16(22(32)33)7-8-20(29)30/h3-6,10-11,16H,1-2,7-9,12H2,(H,25,31)(H,29,30)(H,32,33)(H3,24,26,27)
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 5n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005329
PNG
(5-[4-(Morpholine-4-sulfonyl)-benzyl]-5,6,7,8-tetra...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCOCC4)c3cc2[nH]1
Show InChI InChI=1S/C21H25N5O3S/c22-21-23-18-12-16-2-1-7-25(20(16)13-19(18)24-21)14-15-3-5-17(6-4-15)30(27,28)26-8-10-29-11-9-26/h3-6,12-13H,1-2,7-11,14H2,(H3,22,23,24)
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 6n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005324
PNG
(4-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccc(O)cc4)c3cc2[nH]1
Show InChI InChI=1S/C23H22N4O3S/c24-23-25-20-12-16-2-1-11-27(22(16)13-21(20)26-23)14-15-3-7-18(8-4-15)31(29,30)19-9-5-17(28)6-10-19/h3-10,12-13,28H,1-2,11,14H2,(H3,24,25,26)
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 8n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005329
PNG
(5-[4-(Morpholine-4-sulfonyl)-benzyl]-5,6,7,8-tetra...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCOCC4)c3cc2[nH]1
Show InChI InChI=1S/C21H25N5O3S/c22-21-23-18-12-16-2-1-7-25(20(16)13-19(18)24-21)14-15-3-5-17(6-4-15)30(27,28)26-8-10-29-11-9-26/h3-6,12-13H,1-2,7-11,14H2,(H3,22,23,24)
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 11n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005335
PNG
(2-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)C(=O)NC(CCC(O)=O)C(O)=O)c3cc2[nH]1
Show InChI InChI=1S/C23H25N5O5/c24-23-26-17-10-15-2-1-9-28(19(15)11-18(17)27-23)12-13-3-5-14(6-4-13)21(31)25-16(22(32)33)7-8-20(29)30/h3-6,10-11,16H,1-2,7-9,12H2,(H,25,31)(H,29,30)(H,32,33)(H3,24,26,27)
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 11n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005330
PNG
(5-(4-Benzenesulfonyl-benzyl)-5,6,7,8-tetrahydro-1H...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1
Show InChI InChI=1S/C23H22N4O2S/c24-23-25-20-13-17-5-4-12-27(22(17)14-21(20)26-23)15-16-8-10-19(11-9-16)30(28,29)18-6-2-1-3-7-18/h1-3,6-11,13-14H,4-5,12,15H2,(H3,24,25,26)
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 13n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005324
PNG
(4-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccc(O)cc4)c3cc2[nH]1
Show InChI InChI=1S/C23H22N4O3S/c24-23-25-20-12-16-2-1-11-27(22(16)13-21(20)26-23)14-15-3-7-18(8-4-15)31(29,30)19-9-5-17(28)6-10-19/h3-10,12-13,28H,1-2,11,14H2,(H3,24,25,26)
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 20n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005332
PNG
(5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-5,6,7,8-t...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4nc(N)[nH]c4cc23)cc1
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-6-10-20(11-7-18)32(29,30)19-8-4-16(5-9-19)15-28-12-2-3-17-13-21-22(14-23(17)28)27-24(25)26-21/h4-11,13-14H,2-3,12,15H2,1H3,(H3,25,26,27)
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 24n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005322
PNG
(CHEMBL353813 | [6-(2-Amino-1,6,7,8-tetrahydro-imid...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc5cc(CO)ccc5c4)c3cc2[nH]1
Show InChI InChI=1S/C22H22N4O/c23-22-24-19-10-18-2-1-7-26(21(18)11-20(19)25-22)12-14-3-5-17-9-15(13-27)4-6-16(17)8-14/h3-6,8-11,27H,1-2,7,12-13H2,(H3,23,24,25)
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 38n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005322
PNG
(CHEMBL353813 | [6-(2-Amino-1,6,7,8-tetrahydro-imid...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc5cc(CO)ccc5c4)c3cc2[nH]1
Show InChI InChI=1S/C22H22N4O/c23-22-24-19-10-18-2-1-7-26(21(18)11-20(19)25-22)12-14-3-5-17-9-15(13-27)4-6-16(17)8-14/h3-6,8-11,27H,1-2,7,12-13H2,(H3,23,24,25)
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 39n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005332
PNG
(5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-5,6,7,8-t...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4nc(N)[nH]c4cc23)cc1
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-6-10-20(11-7-18)32(29,30)19-8-4-16(5-9-19)15-28-12-2-3-17-13-21-22(14-23(17)28)27-24(25)26-21/h4-11,13-14H,2-3,12,15H2,1H3,(H3,25,26,27)
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 40n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005330
PNG
(5-(4-Benzenesulfonyl-benzyl)-5,6,7,8-tetrahydro-1H...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1
Show InChI InChI=1S/C23H22N4O2S/c24-23-25-20-13-17-5-4-12-27(22(17)14-21(20)26-23)15-16-8-10-19(11-9-16)30(28,29)18-6-2-1-3-7-18/h1-3,6-11,13-14H,4-5,12,15H2,(H3,24,25,26)
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 43n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005327
PNG
(5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-1-methyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4n(C)c(N)nc4cc23)cc1
Show InChI InChI=1S/C25H26N4O3S/c1-28-24-14-18-4-3-13-29(23(18)15-22(24)27-25(28)26)16-17-5-9-20(10-6-17)33(30,31)21-11-7-19(32-2)8-12-21/h5-12,14-15H,3-4,13,16H2,1-2H3,(H2,26,27)
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 51n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005323
PNG
(5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetra...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCNCC4)c3cc2[nH]1
Show InChI InChI=1S/C21H26N6O2S/c22-21-24-18-12-16-2-1-9-26(20(16)13-19(18)25-21)14-15-3-5-17(6-4-15)30(28,29)27-10-7-23-8-11-27/h3-6,12-13,23H,1-2,7-11,14H2,(H3,22,24,25)
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 64n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005323
PNG
(5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetra...)
Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCNCC4)c3cc2[nH]1
Show InChI InChI=1S/C21H26N6O2S/c22-21-24-18-12-16-2-1-9-26(20(16)13-19(18)25-21)14-15-3-5-17(6-4-15)30(28,29)27-10-7-23-8-11-27/h3-6,12-13,23H,1-2,7-11,14H2,(H3,22,24,25)
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 140n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005331
PNG
(5-(4-Benzenesulfonyl-phenylsulfanyl)-5,6,7,8-tetra...)
Show SMILES Nc1nc2cc3CCCC(Sc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1
Show InChI InChI=1S/C23H21N3O2S2/c24-23-25-20-13-15-5-4-8-22(19(15)14-21(20)26-23)29-16-9-11-18(12-10-16)30(27,28)17-6-2-1-3-7-17/h1-3,6-7,9-14,22H,4-5,8H2,(H3,24,25,26)
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 230n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005331
PNG
(5-(4-Benzenesulfonyl-phenylsulfanyl)-5,6,7,8-tetra...)
Show SMILES Nc1nc2cc3CCCC(Sc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1
Show InChI InChI=1S/C23H21N3O2S2/c24-23-25-20-13-15-5-4-8-22(19(15)14-21(20)26-23)29-16-9-11-18(12-10-16)30(27,28)17-6-2-1-3-7-17/h1-3,6-7,9-14,22H,4-5,8H2,(H3,24,25,26)
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 350n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005325
PNG
(5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-2-methyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4nc(C)[nH]c4cc23)cc1
Show InChI InChI=1S/C25H25N3O3S/c1-17-26-23-14-19-4-3-13-28(25(19)15-24(23)27-17)16-18-5-9-21(10-6-18)32(29,30)22-11-7-20(31-2)8-12-22/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,27)
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 440n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005326
PNG
(5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-1,2-dimet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4n(C)c(C)nc4cc23)cc1
Show InChI InChI=1S/C26H27N3O3S/c1-18-27-24-16-25-20(15-26(24)28(18)2)5-4-14-29(25)17-19-6-10-22(11-7-19)33(30,31)23-12-8-21(32-3)9-13-23/h6-13,15-16H,4-5,14,17H2,1-3H3
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 480n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3410
PNG
(2-Butanol deriv. 18 | N-tert-butyl-2-[(3S)-4-[1-(t...)
Show SMILES CC(C)(C)NC(=O)c1c(CC[C@H](O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12 |r|
Show InChI InChI=1S/C34H40N2O3/c1-33(2,3)35-31(38)29-24(17-15-22-11-7-9-13-27(22)29)19-20-26(37)21-25-18-16-23-12-8-10-14-28(23)30(25)32(39)36-34(4,5)6/h7-18,26,37H,19-21H2,1-6H3,(H,35,38)(H,36,39)/t26-/m0/s1
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 480 -37.5n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005327
PNG
(5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-1-methyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4n(C)c(N)nc4cc23)cc1
Show InChI InChI=1S/C25H26N4O3S/c1-28-24-14-18-4-3-13-29(23(18)15-22(24)27-25(28)26)16-17-5-9-20(10-6-17)33(30,31)21-11-7-19(32-2)8-12-21/h5-12,14-15H,3-4,13,16H2,1-2H3,(H2,26,27)
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 500n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005333
PNG
(CHEMBL169726 | [5-(4-Benzenesulfonyl-benzyl)-5,6,7...)
Show SMILES CNc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1
Show InChI InChI=1S/C24H24N4O2S/c1-25-24-26-21-14-18-6-5-13-28(23(18)15-22(21)27-24)16-17-9-11-20(12-10-17)31(29,30)19-7-3-2-4-8-19/h2-4,7-12,14-15H,5-6,13,16H2,1H3,(H2,25,26,27)
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 770n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3412
PNG
(2-Butanol deriv. 20 | N-tert-butyl-2-{4-[4-tert-bu...)
Show SMILES CC(C)(C)NC(=O)c1cc(ccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C34H46N2O3/c1-32(2,3)25-18-16-23(28(21-25)30(38)35-33(4,5)6)17-19-26(37)20-24-15-14-22-12-10-11-13-27(22)29(24)31(39)36-34(7,8)9/h10-16,18,21,26,37H,17,19-20H2,1-9H3,(H,35,38)(H,36,39)
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 1.20E+3 -35.2n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005325
PNG
(5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-2-methyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4nc(C)[nH]c4cc23)cc1
Show InChI InChI=1S/C25H25N3O3S/c1-17-26-23-14-19-4-3-13-28(25(19)15-24(23)27-17)16-18-5-9-21(10-6-18)32(29,30)22-11-7-20(31-2)8-12-22/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,27)
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 1.30E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3409
PNG
(2-Butanol deriv. 17 | N-tert-butyl-2-{4-[1-(tert-b...)
Show SMILES CC(C)(C)NC(=O)c1c(CCC(O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12
Show InChI InChI=1S/C34H40N2O3/c1-33(2,3)35-31(38)29-24(17-15-22-11-7-9-13-27(22)29)19-20-26(37)21-25-18-16-23-12-8-10-14-28(23)30(25)32(39)36-34(4,5)6/h7-18,26,37H,19-21H2,1-6H3,(H,35,38)(H,36,39)
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 1.40E+3 -34.8n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3408
PNG
(2-Butanol deriv. 16 | N-tert-butyl-2-{4-[2-(tert-b...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H38N2O3/c1-29(2,3)31-27(34)25-14-10-8-12-21(25)17-18-23(33)19-22-16-15-20-11-7-9-13-24(20)26(22)28(35)32-30(4,5)6/h7-16,23,33H,17-19H2,1-6H3,(H,31,34)(H,32,35)
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 2.20E+3 -33.6n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005334
PNG
(5-(4-Benzenesulfonyl-benzyl)-2-methylsulfanyl-5,6,...)
Show SMILES CSc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1
Show InChI InChI=1S/C24H23N3O2S2/c1-30-24-25-21-14-18-6-5-13-27(23(18)15-22(21)26-24)16-17-9-11-20(12-10-17)31(28,29)19-7-3-2-4-8-19/h2-4,7-12,14-15H,5-6,13,16H2,1H3,(H,25,26)
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>3.00E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005334
PNG
(5-(4-Benzenesulfonyl-benzyl)-2-methylsulfanyl-5,6,...)
Show SMILES CSc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1
Show InChI InChI=1S/C24H23N3O2S2/c1-30-24-25-21-14-18-6-5-13-27(23(18)15-22(21)26-24)16-17-9-11-20(12-10-17)31(28,29)19-7-3-2-4-8-19/h2-4,7-12,14-15H,5-6,13,16H2,1H3,(H,25,26)
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 4.20E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005328
PNG
(5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetra...)
Show SMILES O=S(=O)(N1CCNCC1)c1ccc(CN2CCCc3cc4nc[nH]c4cc23)cc1
Show InChI InChI=1S/C21H25N5O2S/c27-29(28,26-10-7-22-8-11-26)18-5-3-16(4-6-18)14-25-9-1-2-17-12-19-20(13-21(17)25)24-15-23-19/h3-6,12-13,15,22H,1-2,7-11,14H2,(H,23,24)
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 4.90E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005326
PNG
(5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-1,2-dimet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4n(C)c(C)nc4cc23)cc1
Show InChI InChI=1S/C26H27N3O3S/c1-18-27-24-16-25-20(15-26(24)28(18)2)5-4-14-29(25)17-19-6-10-22(11-7-19)33(30,31)23-12-8-21(32-3)9-13-23/h6-13,15-16H,4-5,14,17H2,1-3H3
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 5.20E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50005328
PNG
(5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetra...)
Show SMILES O=S(=O)(N1CCNCC1)c1ccc(CN2CCCc3cc4nc[nH]c4cc23)cc1
Show InChI InChI=1S/C21H25N5O2S/c27-29(28,26-10-7-22-8-11-26)18-5-3-16(4-6-18)14-25-9-1-2-17-12-19-20(13-21(17)25)24-15-23-19/h3-6,12-13,15,22H,1-2,7-11,14H2,(H,23,24)
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 7.70E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)		BDBM50005333
PNG
(CHEMBL169726 | [5-(4-Benzenesulfonyl-benzyl)-5,6,7...)
Show SMILES CNc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1
Show InChI InChI=1S/C24H24N4O2S/c1-25-24-26-21-14-18-6-5-13-28(23(18)15-22(21)27-24)16-17-9-11-20(12-10-17)31(29,30)19-7-3-2-4-8-19/h2-4,7-12,14-15H,5-6,13,16H2,1H3,(H2,25,26,27)
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 8.50E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Thymidylate synthase (TS)

J Med Chem 35: 847-58 (1992)


BindingDB Entry DOI: 10.7270/Q2X0660R
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3401
PNG
(2-Butanol deriv. 8 | 2-[4-[2-(tert-Butylcarbamoyl)...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)NC(C)(C)C
Show InChI InChI=1S/C26H36N2O3/c1-25(2,3)27-23(30)21-13-9-7-11-18(21)15-16-20(29)17-19-12-8-10-14-22(19)24(31)28-26(4,5)6/h7-14,20,29H,15-17H2,1-6H3,(H,27,30)(H,28,31)
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 2.40E+4 -27.4n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3411
PNG
(2-Butanol deriv. 19 | N-tert-butyl-2-[(3R)-4-[1-(t...)
Show SMILES CC(C)(C)NC(=O)c1c(CC[C@@H](O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12 |r|
Show InChI InChI=1S/C34H40N2O3/c1-33(2,3)35-31(38)29-24(17-15-22-11-7-9-13-27(22)29)19-20-26(37)21-25-18-16-23-12-8-10-14-28(23)30(25)32(39)36-34(4,5)6/h7-18,26,37H,19-21H2,1-6H3,(H,35,38)(H,36,39)/t26-/m1/s1
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 2.50E+4 -27.3n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3397
PNG
(2-Butanol deriv. 4 | N-tert-butyl-2-(3-{[2-(tert-b...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H34N2O3S/c1-24(2,3)26-22(29)19-12-8-7-11-17(19)15-18(28)16-31-21-14-10-9-13-20(21)23(30)27-25(4,5)6/h7-14,18,28H,15-16H2,1-6H3,(H,26,29)(H,27,30)
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 8.30E+4 -24.2n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3413
PNG
(2-Butanol deriv. 21 | N,5-di-tert-butyl-2-{4-[4-te...)
Show SMILES CC(C)(C)NC(=O)c1cc(ccc1CCC(O)Cc1ccc(cc1C(=O)NC(C)(C)C)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C34H52N2O3/c1-31(2,3)24-16-13-22(27(20-24)29(38)35-33(7,8)9)15-18-26(37)19-23-14-17-25(32(4,5)6)21-28(23)30(39)36-34(10,11)12/h13-14,16-17,20-21,26,37H,15,18-19H2,1-12H3,(H,35,38)(H,36,39)
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n/an/a 7.00E+3n/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3398
PNG
(2-Butanol deriv. 5 | 2-[3-[[2-(tert-Butylcarbamoyl...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1SCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C
Show InChI InChI=1S/C29H36N2O3S/c1-28(2,3)30-26(33)23-13-9-10-14-24(23)35-18-21(32)17-20-16-15-19-11-7-8-12-22(19)25(20)27(34)31-29(4,5)6/h7-16,21,32H,17-18H2,1-6H3,(H,30,33)(H,31,34)
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n/an/a 2.50E+4n/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3407
PNG
(2-Butanol deriv. 15 | N-tert-butyl-4-{4-[1-(tert-b...)
Show SMILES CC(C)N1CCC(CC(O)CCc2ccc3ccccc3c2C(=O)NC(C)(C)C)=C(C1)C(=O)NC(C)(C)C |c:30|
Show InChI InChI=1S/C32H47N3O3/c1-21(2)35-18-17-24(27(20-35)29(37)33-31(3,4)5)19-25(36)16-15-23-14-13-22-11-9-10-12-26(22)28(23)30(38)34-32(6,7)8/h9-14,21,25,36H,15-20H2,1-8H3,(H,33,37)(H,34,38)
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n/an/a 7.00E+4n/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3400
PNG
(2-Butanol deriv. 7 | 2-[3-[[2-(tert-Butylcarbamoyl...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1NCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C
Show InChI InChI=1S/C29H37N3O3/c1-28(2,3)31-26(34)23-13-9-10-14-24(23)30-18-21(33)17-20-16-15-19-11-7-8-12-22(19)25(20)27(35)32-29(4,5)6/h7-16,21,30,33H,17-18H2,1-6H3,(H,31,34)(H,32,35)
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n/an/a 1.20E+5n/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3403
PNG
(2-Butanol deriv. 10 | 2-[4-[2-(tert-Butylcarbamoyl...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1CC(O)C#Cc1ccccc1C(=O)NC(C)(C)C
Show InChI InChI=1S/C26H32N2O3/c1-25(2,3)27-23(30)21-13-9-7-11-18(21)15-16-20(29)17-19-12-8-10-14-22(19)24(31)28-26(4,5)6/h7-14,20,29H,17H2,1-6H3,(H,27,30)(H,28,31)
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n/an/a 2.00E+5n/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3396
PNG
(2-Butanol deriv. 3 | N-tert-Butyl-2-{3-[[2-[(2,2-d...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1NC(=O)C(C)(C)C
Show InChI InChI=1S/C25H34N2O3S/c1-24(2,3)23(30)26-20-13-9-10-14-21(20)31-16-18(28)15-17-11-7-8-12-19(17)22(29)27-25(4,5)6/h7-14,18,28H,15-16H2,1-6H3,(H,26,30)(H,27,29)
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n/an/a>2.00E+5n/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3399
PNG
(2-Butanol deriv. 6 | 2-[2-[2-[[(tert-Butylcarbamoy...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1SCC(O)c1ccccc1C(=O)NC(C)(C)C
Show InChI InChI=1S/C24H32N2O3S/c1-23(2,3)25-21(28)17-12-8-7-11-16(17)19(27)15-30-20-14-10-9-13-18(20)22(29)26-24(4,5)6/h7-14,19,27H,15H2,1-6H3,(H,25,28)(H,26,29)
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n/an/a>2.00E+5n/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3405
PNG
((2S)-N-tert-butyl-1-[(2R)-4-[1-(tert-butylcarbamoy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@H](O)CCc1ccc2ccccc2c1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H41N3O3/c1-27(2,3)29-25(33)23-12-9-17-31(23)18-21(32)16-15-20-14-13-19-10-7-8-11-22(19)24(20)26(34)30-28(4,5)6/h7-8,10-11,13-14,21,23,32H,9,12,15-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,23+/m1/s1
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n/an/an/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3406
PNG
((2S)-N-tert-butyl-1-[(2S)-4-[1-(tert-butylcarbamoy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@@H](O)CCc1ccc2ccccc2c1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H41N3O3/c1-27(2,3)29-25(33)23-12-9-17-31(23)18-21(32)16-15-20-14-13-19-10-7-8-11-22(19)24(20)26(34)30-28(4,5)6/h7-8,10-11,13-14,21,23,32H,9,12,15-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,23-/m0/s1
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n/an/an/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3404
PNG
(2-Butanol deriv. 11 | N-tert-butyl-1-{4-[2-(tert-b...)
Show SMILES CC(C)(C)NC(=O)C1CCCCN1CC(O)CCc1ccccc1C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H41N3O3/c1-24(2,3)26-22(30)20-12-8-7-11-18(20)14-15-19(29)17-28-16-10-9-13-21(28)23(31)27-25(4,5)6/h7-8,11-12,19,21,29H,9-10,13-17H2,1-6H3,(H,26,30)(H,27,31)
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n/an/an/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3402
PNG
(2-Butanol deriv. 9 | 2-[4-(tert-Butylcarbamoyl)phe...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1CC(O)\C=C\c1ccccc1C(=O)NC(C)(C)C
Show InChI InChI=1S/C26H34N2O3/c1-25(2,3)27-23(30)21-13-9-7-11-18(21)15-16-20(29)17-19-12-8-10-14-22(19)24(31)28-26(4,5)6/h7-16,20,29H,17H2,1-6H3,(H,27,30)(H,28,31)/b16-15+
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n/an/an/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair