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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'bogri' and Initial = 't'   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1250
PNG
((2S)-N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(pentan-3-y...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2n1)C(C)(C)C
Show InChI InChI=1S/C36H49N7O6/c1-6-23(7-2)40-32(46)18-24(36(3,4)5)33(47)39-21-30(44)27(17-22-13-9-8-10-14-22)42-34(48)28(19-31(37)45)43-35(49)29-20-38-25-15-11-12-16-26(25)41-29/h8-16,20,23-24,27-28,30,44H,6-7,17-19,21H2,1-5H3,(H2,37,45)(H,39,47)(H,40,46)(H,42,48)(H,43,49)/t24-,27-,28-,30+/m0/s1
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n/an/a 1.90n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1248
PNG
((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S)-3-m...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)C)C(C)(C)C
Show InChI InChI=1S/C37H52N6O5/c1-8-25(9-2)40-32(45)20-26(37(5,6)7)34(46)39-22-31(44)29(19-24-15-11-10-12-16-24)42-36(48)33(23(3)4)43-35(47)30-21-38-27-17-13-14-18-28(27)41-30/h10-18,21,23,25-26,29,31,33,44H,8-9,19-20,22H2,1-7H3,(H,39,46)(H,40,45)(H,42,48)(H,43,47)/t26-,29-,31+,33-/m0/s1
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n/an/a 2.20n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1249
PNG
((2S)-N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(pentan-3-y...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)(C)C
Show InChI InChI=1S/C37H50N6O6/c1-6-25(7-2)40-33(46)20-26(37(3,4)5)34(47)39-22-31(44)29(19-23-13-9-8-10-14-23)42-36(49)30(21-32(38)45)43-35(48)28-18-17-24-15-11-12-16-27(24)41-28/h8-18,25-26,29-31,44H,6-7,19-22H2,1-5H3,(H2,38,45)(H,39,47)(H,40,46)(H,42,49)(H,43,48)/t26-,29-,30-,31+/m0/s1
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n/an/a 2.20n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1247
PNG
((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S)-3-m...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(C)(C)C
Show InChI InChI=1S/C38H53N5O5/c1-8-27(9-2)40-33(45)22-28(38(5,6)7)35(46)39-23-32(44)31(21-25-15-11-10-12-16-25)42-37(48)34(24(3)4)43-36(47)30-20-19-26-17-13-14-18-29(26)41-30/h10-20,24,27-28,31-32,34,44H,8-9,21-23H2,1-7H3,(H,39,46)(H,40,45)(H,42,48)(H,43,47)/t28-,31-,32+,34-/m0/s1
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n/an/a 2.5n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1244
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 16 | benzyl N-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)(C)C
Show InChI InChI=1S/C36H54N4O6/c1-8-27(9-2)38-31(42)21-28(36(5,6)7)33(43)37-22-30(41)29(20-25-16-12-10-13-17-25)39-34(44)32(24(3)4)40-35(45)46-23-26-18-14-11-15-19-26/h10-19,24,27-30,32,41H,8-9,20-23H2,1-7H3,(H,37,43)(H,38,42)(H,39,44)(H,40,45)/t28-,29-,30+,32-/m0/s1
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n/an/a 2.90n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1231
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 3 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)[C@H](CC(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-31(42)26(34(3,4)5)20-29(41)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,42)(H,37,43)(H,38,44)(H,39,41)/t26-,27-,28+,30-/m0/s1
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n/an/a 3n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1252
PNG
((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S,3R)-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)O)C(C)(C)C
Show InChI InChI=1S/C36H50N6O6/c1-7-24(8-2)39-31(45)19-25(36(4,5)6)33(46)38-21-30(44)28(18-23-14-10-9-11-15-23)41-35(48)32(22(3)43)42-34(47)29-20-37-26-16-12-13-17-27(26)40-29/h9-17,20,22,24-25,28,30,32,43-44H,7-8,18-19,21H2,1-6H3,(H,38,46)(H,39,45)(H,41,48)(H,42,47)/t22?,25-,28-,30+,32-/m0/s1
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n/an/a 3n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1251
PNG
((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S,3R)-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)O)C(C)(C)C
Show InChI InChI=1S/C37H51N5O6/c1-7-26(8-2)39-32(45)21-27(37(4,5)6)34(46)38-22-31(44)30(20-24-14-10-9-11-15-24)41-36(48)33(23(3)43)42-35(47)29-19-18-25-16-12-13-17-28(25)40-29/h9-19,23,26-27,30-31,33,43-44H,7-8,20-22H2,1-6H3,(H,38,46)(H,39,45)(H,41,48)(H,42,47)/t23?,27-,30-,31+,33-/m0/s1
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n/an/a 3.60n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1245
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 17 | benzyl N-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C35H51N5O7/c1-6-25(7-2)38-31(43)19-26(35(3,4)5)32(44)37-21-29(41)27(18-23-14-10-8-11-15-23)39-33(45)28(20-30(36)42)40-34(46)47-22-24-16-12-9-13-17-24/h8-17,25-29,41H,6-7,18-22H2,1-5H3,(H2,36,42)(H,37,44)(H,38,43)(H,39,45)(H,40,46)/t26-,27-,28-,29+/m0/s1
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n/an/a 3.80n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM1250
PNG
((2S)-N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(pentan-3-y...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2n1)C(C)(C)C
Show InChI InChI=1S/C36H49N7O6/c1-6-23(7-2)40-32(46)18-24(36(3,4)5)33(47)39-21-30(44)27(17-22-13-9-8-10-14-22)42-34(48)28(19-31(37)45)43-35(49)29-20-38-25-15-11-12-16-26(25)41-29/h8-16,20,23-24,27-28,30,44H,6-7,17-19,21H2,1-5H3,(H2,37,45)(H,39,47)(H,40,46)(H,42,48)(H,43,49)/t24-,27-,28-,30+/m0/s1
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n/an/a 6.30n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM1249
PNG
((2S)-N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(pentan-3-y...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)(C)C
Show InChI InChI=1S/C37H50N6O6/c1-6-25(7-2)40-33(46)20-26(37(3,4)5)34(47)39-22-31(44)29(19-23-13-9-8-10-14-23)42-36(49)30(21-32(38)45)43-35(48)28-18-17-24-15-11-12-16-27(24)41-28/h8-18,25-26,29-31,44H,6-7,19-22H2,1-5H3,(H2,38,45)(H,39,47)(H,40,46)(H,42,49)(H,43,48)/t26-,29-,30-,31+/m0/s1
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n/an/a 6.70n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1246
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 18 | benzyl N-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)O)C(C)(C)C
Show InChI InChI=1S/C35H52N4O7/c1-7-26(8-2)37-30(42)20-27(35(4,5)6)32(43)36-21-29(41)28(19-24-15-11-9-12-16-24)38-33(44)31(23(3)40)39-34(45)46-22-25-17-13-10-14-18-25/h9-18,23,26-29,31,40-41H,7-8,19-22H2,1-6H3,(H,36,43)(H,37,42)(H,38,44)(H,39,45)/t23?,27-,28-,29+,31-/m0/s1
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n/an/a 8.20n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1243
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 15 | benzyl N-...)
Show SMILES CC(C)(C)[C@@H](CC(=O)Nc1ccccc1)C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H39N3O5/c1-32(2,3)26(20-29(37)34-25-17-11-6-12-18-25)30(38)33-21-28(36)27(19-23-13-7-4-8-14-23)35-31(39)40-22-24-15-9-5-10-16-24/h4-18,26-28,36H,19-22H2,1-3H3,(H,33,38)(H,34,37)(H,35,39)/t26-,27-,28+/m0/s1
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n/an/a 14n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1239
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 11 | benzyl N-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C31H45N3O5/c1-6-24(7-2)33-28(36)19-25(31(3,4)5)29(37)32-20-27(35)26(18-22-14-10-8-11-15-22)34-30(38)39-21-23-16-12-9-13-17-23/h8-17,24-27,35H,6-7,18-21H2,1-5H3,(H,32,37)(H,33,36)(H,34,38)/t25-,26-,27+/m0/s1
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n/an/a 15n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1238
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 10 | benzyl N-...)
Show SMILES CC(C)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C29H41N3O5/c1-20(2)31-26(34)17-23(29(3,4)5)27(35)30-18-25(33)24(16-21-12-8-6-9-13-21)32-28(36)37-19-22-14-10-7-11-15-22/h6-15,20,23-25,33H,16-19H2,1-5H3,(H,30,35)(H,31,34)(H,32,36)/t23-,24-,25+/m0/s1
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n/an/a 19n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1237
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 9 | benzyl N-[...)
Show SMILES CC(C)(C)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C30H43N3O5/c1-29(2,3)23(18-26(35)33-30(4,5)6)27(36)31-19-25(34)24(17-21-13-9-7-10-14-21)32-28(37)38-20-22-15-11-8-12-16-22/h7-16,23-25,34H,17-20H2,1-6H3,(H,31,36)(H,32,37)(H,33,35)/t23-,24-,25+/m0/s1
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n/an/a 19n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1232
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 4 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)[C@@H](CC(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-31(42)26(34(3,4)5)20-29(41)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,42)(H,37,43)(H,38,44)(H,39,41)/t26-,27+,28-,30+/m1/s1
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n/an/a 25n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM1248
PNG
((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S)-3-m...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)C)C(C)(C)C
Show InChI InChI=1S/C37H52N6O5/c1-8-25(9-2)40-32(45)20-26(37(5,6)7)34(46)39-22-31(44)29(19-24-15-11-10-12-16-24)42-36(48)33(23(3)4)43-35(47)30-21-38-27-17-13-14-18-28(27)41-30/h10-18,21,23,25-26,29,31,33,44H,8-9,19-20,22H2,1-7H3,(H,39,46)(H,40,45)(H,42,48)(H,43,47)/t26-,29-,31+,33-/m0/s1
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n/an/a 38n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1240
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 12 | benzyl N-...)
Show SMILES CCCC(CCC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C33H49N3O5/c1-6-14-26(15-7-2)35-30(38)21-27(33(3,4)5)31(39)34-22-29(37)28(20-24-16-10-8-11-17-24)36-32(40)41-23-25-18-12-9-13-19-25/h8-13,16-19,26-29,37H,6-7,14-15,20-23H2,1-5H3,(H,34,39)(H,35,38)(H,36,40)/t27-,28-,29+/m0/s1
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n/an/a 39n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM1247
PNG
((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S)-3-m...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(C)(C)C
Show InChI InChI=1S/C38H53N5O5/c1-8-27(9-2)40-33(45)22-28(38(5,6)7)35(46)39-23-32(44)31(21-25-15-11-10-12-16-25)42-37(48)34(24(3)4)43-36(47)30-20-19-26-17-13-14-18-29(26)41-30/h10-20,24,27-28,31-32,34,44H,8-9,21-23H2,1-7H3,(H,39,46)(H,40,45)(H,42,48)(H,43,47)/t28-,31-,32+,34-/m0/s1
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n/an/a 42n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1236
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 8 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC(=O)[C@H](CC(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-31(42)26(34(3,4)5)20-29(41)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,42)(H,37,43)(H,38,44)(H,39,41)/t26-,27-,28-,30-/m0/s1
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n/an/a 50n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1242
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 14 | benzyl N-...)
Show SMILES CC(C)C(NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C)C(C)C
Show InChI InChI=1S/C33H49N3O5/c1-22(2)30(23(3)4)36-29(38)19-26(33(5,6)7)31(39)34-20-28(37)27(18-24-14-10-8-11-15-24)35-32(40)41-21-25-16-12-9-13-17-25/h8-17,22-23,26-28,30,37H,18-21H2,1-7H3,(H,34,39)(H,35,40)(H,36,38)/t26-,27-,28+/m0/s1
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n/an/a 58n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1229
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 1 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H48N4O5/c1-23(2)29(35-32(41)42-22-25-16-10-7-11-17-25)31(40)34-26(20-24-14-8-6-9-15-24)28(38)21-37-19-13-12-18-27(37)30(39)36-33(3,4)5/h6-11,14-17,23,26-29,38H,12-13,18-22H2,1-5H3,(H,34,40)(H,35,41)(H,36,39)/t26-,27-,28+,29-/m0/s1
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n/an/a 62n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1234
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 6 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C[C@@H](C(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-29(41)20-26(34(3,4)5)31(42)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27-,28+,30-/m0/s1
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n/an/a 125n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1241
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 13 | benzyl N-...)
Show SMILES CC(C)(C)[C@@H](CC(=O)NC1CCCCC1)C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H45N3O5/c1-32(2,3)26(20-29(37)34-25-17-11-6-12-18-25)30(38)33-21-28(36)27(19-23-13-7-4-8-14-23)35-31(39)40-22-24-15-9-5-10-16-24/h4-5,7-10,13-16,25-28,36H,6,11-12,17-22H2,1-3H3,(H,33,38)(H,34,37)(H,35,39)/t26-,27-,28+/m0/s1
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n/an/a 135n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM1252
PNG
((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S,3R)-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)O)C(C)(C)C
Show InChI InChI=1S/C36H50N6O6/c1-7-24(8-2)39-31(45)19-25(36(4,5)6)33(46)38-21-30(44)28(18-23-14-10-9-11-15-23)41-35(48)32(22(3)43)42-34(47)29-20-37-26-16-12-13-17-27(26)40-29/h9-17,20,22,24-25,28,30,32,43-44H,7-8,18-19,21H2,1-6H3,(H,38,46)(H,39,45)(H,41,48)(H,42,47)/t22?,25-,28-,30+,32-/m0/s1
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n/an/a 135n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1230
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 2 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C1CCCCC1C(=O)NC(C)(C)C
Show InChI InChI=1S/C35H50N4O6/c1-23(2)30(38-34(44)45-22-25-16-10-7-11-17-25)33(43)37-28(20-24-14-8-6-9-15-24)29(40)21-36-31(41)26-18-12-13-19-27(26)32(42)39-35(3,4)5/h6-11,14-17,23,26-30,40H,12-13,18-22H2,1-5H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t26?,27?,28-,29+,30-/m0/s1
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n/an/a 140n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM1251
PNG
((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S,3R)-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)O)C(C)(C)C
Show InChI InChI=1S/C37H51N5O6/c1-7-26(8-2)39-32(45)21-27(37(4,5)6)34(46)38-22-31(44)30(20-24-14-10-9-11-15-24)41-36(48)33(23(3)43)42-35(47)29-19-18-25-16-12-13-17-28(25)40-29/h9-19,23,26-27,30-31,33,43-44H,7-8,20-22H2,1-6H3,(H,38,46)(H,39,45)(H,41,48)(H,42,47)/t23?,27-,30-,31+,33-/m0/s1
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n/an/a 185n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50026173
PNG
(2-{4-[2-(3,4-Dimethoxy-phenyl)-2-hydroxy-ethyl]-pi...)
Show SMILES Oc1ccc(CCN2CCN(CC2)c2cccccc2=O)cc1O
Show InChI InChI=1S/C19H22N2O3/c22-17-5-3-1-2-4-16(17)21-12-10-20(11-13-21)9-8-15-6-7-18(23)19(24)14-15/h1-7,14,23-24H,8-13H2
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n/an/a 760n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50026171
PNG
(2-[4-(2-Hydroxy-2-phenyl-ethyl)-piperazin-1-yl]-cy...)
Show SMILES COc1ccc(CCN2CCN(CC2)c2cccccc2=O)cc1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-20-9-8-17(16-21(20)26-2)10-11-22-12-14-23(15-13-22)18-6-4-3-5-7-19(18)24/h3-9,16H,10-15H2,1-2H3
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n/an/a 880n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50026172
PNG
(2-{4-[2-(3,4-Dimethoxy-phenyl)-2-hydroxy-1-methyl-...)
Show SMILES COc1ccc(cc1OC)[C@H](O)[C@@H](C)N1CCN(CC1)c1cccccc1=O
Show InChI InChI=1S/C22H28N2O4/c1-16(22(26)17-9-10-20(27-2)21(15-17)28-3)23-11-13-24(14-12-23)18-7-5-4-6-8-19(18)25/h4-10,15-16,22,26H,11-14H2,1-3H3/t16-,22-/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50452265
PNG
(CHEMBL2115477)
Show SMILES COc1ccc(cc1OC)C(O)CN1CCN(CC1)c1cccccc1=O
Show InChI InChI=1S/C21H26N2O4.ClH/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24;/h3-9,14,19,25H,10-13,15H2,1-2H3;1H
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n/an/a 1.07E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50452267
PNG
(CILADOPA | Ciladopa)
Show SMILES COc1ccc(cc1OC)[C@H](O)CN1CCN(CC1)c1cccccc1=O
Show InChI InChI=1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m1/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]WB-4101 from rat brain alpha-1 adrenergic receptor


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50452266
PNG
(CHEMBL2115071)
Show SMILES COc1ccc(cc1OC)[C@@H](O)CN1CCN(CC1)c1cccccc1=O
Show InChI InChI=1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m0/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]WB-4101 from rat brain alpha-1 adrenergic receptor


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50452265
PNG
(CHEMBL2115477)
Show SMILES COc1ccc(cc1OC)C(O)CN1CCN(CC1)c1cccccc1=O
Show InChI InChI=1S/C21H26N2O4.ClH/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24;/h3-9,14,19,25H,10-13,15H2,1-2H3;1H
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50452267
PNG
(CILADOPA | Ciladopa)
Show SMILES COc1ccc(cc1OC)[C@H](O)CN1CCN(CC1)c1cccccc1=O
Show InChI InChI=1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1233
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 5 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C[C@H](C(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-29(41)20-26(34(3,4)5)31(42)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27+,28-,30+/m1/s1
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n/an/a 4.85E+3n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1235
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 7 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)CCC(=O)NC(C)(C)C
Show InChI InChI=1S/C31H44N4O6/c1-21(2)28(34-30(40)41-20-23-14-10-7-11-15-23)29(39)33-24(18-22-12-8-6-9-13-22)25(36)19-32-26(37)16-17-27(38)35-31(3,4)5/h6-15,21,24-25,28,36H,16-20H2,1-5H3,(H,32,37)(H,33,39)(H,34,40)(H,35,38)/t24-,25+,28-/m0/s1
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n/an/a 8.25E+3n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50226137
PNG
(CHEMBL3349048)
Show SMILES COc1ccc(cc1OC)[C@@H](O)[C@@H](C)N1CCN(CC1)c1cccccc1=O
Show InChI InChI=1S/C22H28N2O4/c1-16(22(26)17-9-10-20(27-2)21(15-17)28-3)23-11-13-24(14-12-23)18-7-5-4-6-8-19(18)25/h4-10,15-16,22,26H,11-14H2,1-3H3/t16-,22+/m1/s1
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n/an/a 8.55E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was for its ability to displace [3H]haloperidol binding to rat striatal Dopamine receptor D2


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50452266
PNG
(CHEMBL2115071)
Show SMILES COc1ccc(cc1OC)[C@@H](O)CN1CCN(CC1)c1cccccc1=O
Show InChI InChI=1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m0/s1
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n/an/a 1.66E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/a 9.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]WB-4101 from rat brain alpha-1 adrenergic receptor


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50000315
PNG
((CI-914)6-(4-Imidazol-1-yl-phenyl)-4,5-dihydro-2H-...)
Show SMILES O=C1CCC(=NN1)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H12N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-4,7-9H,5-6H2,(H,16,18)
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n/an/a 9.40E+4n/an/an/an/an/an/a



Ayerst Laboratories Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of bovine cardiac phosphodiesterase fraction III


J Med Chem 31: 814-23 (1988)


Article DOI: 10.1021/jm00399a023
BindingDB Entry DOI: 10.7270/Q2W096GV
More data for this
Ligand-Target Pair