Found 178 hits with Last Name = 'zugay-murphy' and Initial = 'j' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM520
(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of Wild-type protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM519
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of Wild-type protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366785
(NELFINAVIR)Show SMILES Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26+,27-,29+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of Wild-type protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM517
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of Wild-type protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM519
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (K-60) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM519
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (A-44) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM517
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (A-44) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366785
(NELFINAVIR)Show SMILES Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26+,27-,29+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (A-44) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM520
(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (V-18) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366785
(NELFINAVIR)Show SMILES Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26+,27-,29+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (V-18) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50366785
(NELFINAVIR)Show SMILES Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26+,27-,29+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (K-60) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM517
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (V-18) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM520
(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (K-60) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM517
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (K-60) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM520
(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (A-44) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM519
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (V-18) |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091595
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)Show SMILES CC(C)(C)NC(=O)C1CN(Cc2cc3cccnc3s2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O4S/c1-38(2,3)41-36(47)32-24-42(23-30-20-27-13-9-15-39-37(27)48-30)16-17-43(32)22-29(44)19-28(18-25-10-5-4-6-11-25)35(46)40-34-31-14-8-7-12-26(31)21-33(34)45/h4-15,20,28-29,32-34,44-45H,16-19,21-24H2,1-3H3,(H,40,46)(H,41,47) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091606
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)Show SMILES Cc1c(CN2CCN(CC(O)CC(Cc3ccccc3)C(=O)NC3C(O)Cc4ccccc34)C(C2)C(=O)NC(C)(C)C)oc2ccccc12 Show InChI InChI=1S/C40H50N4O5/c1-26-31-15-10-11-17-35(31)49-36(26)25-43-18-19-44(33(24-43)39(48)42-40(2,3)4)23-30(45)21-29(20-27-12-6-5-7-13-27)38(47)41-37-32-16-9-8-14-28(32)22-34(37)46/h5-17,29-30,33-34,37,45-46H,18-25H2,1-4H3,(H,41,47)(H,42,48) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition of Protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283727
((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H45N5O4S2/c1-36(2,3)39-34(45)30-22-40(21-28-17-25-10-14-46-35(25)47-28)12-13-41(30)20-27(42)16-26(15-23-7-6-11-37-19-23)33(44)38-32-29-9-5-4-8-24(29)18-31(32)43/h4-11,14,17,19,26-27,30-32,42-43H,12-13,15-16,18,20-22H2,1-3H3,(H,38,44)(H,39,45)/t26-,27+,30+,31-,32+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091616
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3ccccc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C40H49N5O4/c1-40(2,3)43-39(49)35-26-44(24-28-20-30-14-8-10-16-34(30)41-23-28)17-18-45(35)25-32(46)21-31(19-27-11-5-4-6-12-27)38(48)42-37-33-15-9-7-13-29(33)22-36(37)47/h4-16,20,23,31-32,35-37,46-47H,17-19,21-22,24-26H2,1-3H3,(H,42,48)(H,43,49)/t31-,32+,35+,36-,37?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091615
(4-(4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin...)Show SMILES Cc1nn(C)c2ncc(CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)NC4[C@H](O)Cc5ccccc45)[C@@H](C3)C(=O)NC(C)(C)C)c(Cl)c12 Show InChI InChI=1S/C39H50ClN7O4/c1-24-33-34(40)28(20-41-36(33)45(5)44-24)21-46-15-16-47(31(23-46)38(51)43-39(2,3)4)22-29(48)18-27(17-25-11-7-6-8-12-25)37(50)42-35-30-14-10-9-13-26(30)19-32(35)49/h6-14,20,27,29,31-32,35,48-49H,15-19,21-23H2,1-5H3,(H,42,50)(H,43,51)/t27-,29+,31+,32-,35?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition of Protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091618
(4-Furo[3,2-b]pyridin-6-ylmethyl-1-[2-hydroxy-4-(2-...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3ccoc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-37(47)32-24-42(22-26-18-34-31(39-21-26)13-16-48-34)14-15-43(32)23-29(44)19-28(17-25-9-5-4-6-10-25)36(46)40-35-30-12-8-7-11-27(30)20-33(35)45/h4-13,16,18,21,28-29,32-33,35,44-45H,14-15,17,19-20,22-24H2,1-3H3,(H,40,46)(H,41,47)/t28-,29+,32+,33-,35?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091607
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)Show SMILES CC(C)(C)NC(=O)C1CN(Cc2cc3cc(CO)cnc3o2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 Show InChI InChI=1S/C39H49N5O6/c1-39(2,3)42-37(49)33-23-43(22-31-18-29-16-26(24-45)20-40-38(29)50-31)13-14-44(33)21-30(46)17-28(15-25-9-5-4-6-10-25)36(48)41-35-32-12-8-7-11-27(32)19-34(35)47/h4-12,16,18,20,28,30,33-35,45-47H,13-15,17,19,21-24H2,1-3H3,(H,41,48)(H,42,49) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition of Protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50408998
(CHEMBL1233940 | L-756423)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(24-31-21-28-14-8-10-16-35(28)48-31)17-18-43(33)23-30(44)20-29(19-26-11-5-4-6-12-26)37(46)40-36-32-15-9-7-13-27(32)22-34(36)45/h4-16,21,29-30,33-34,36,44-45H,17-20,22-25H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,33+,34-,36+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091608
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)Show SMILES Cc1cc2oc(CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)NC4[C@H](O)Cc5ccccc45)[C@@H](C3)C(=O)NC(C)(C)C)cc2cn1 Show InChI InChI=1S/C39H49N5O5/c1-25-16-35-29(21-40-25)19-31(49-35)23-43-14-15-44(33(24-43)38(48)42-39(2,3)4)22-30(45)18-28(17-26-10-6-5-7-11-26)37(47)41-36-32-13-9-8-12-27(32)20-34(36)46/h5-13,16,19,21,28,30,33-34,36,45-46H,14-15,17-18,20,22-24H2,1-4H3,(H,41,47)(H,42,48)/t28-,30+,33+,34-,36?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091621
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)Show SMILES CC(C)(C)NC(=O)C1CN(Cc2csc3ncccc23)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O4S/c1-38(2,3)41-36(47)32-23-42(21-28-24-48-37-31(28)14-9-15-39-37)16-17-43(32)22-29(44)19-27(18-25-10-5-4-6-11-25)35(46)40-34-30-13-8-7-12-26(30)20-33(34)45/h4-15,24,27,29,32-34,44-45H,16-23H2,1-3H3,(H,40,46)(H,41,47) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition of Protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091603
(4-Furo[3,2-c]pyridin-2-ylmethyl-1-[2-hydroxy-4-(2-...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-37(47)32-24-42(23-30-19-28-21-39-14-13-34(28)48-30)15-16-43(32)22-29(44)18-27(17-25-9-5-4-6-10-25)36(46)40-35-31-12-8-7-11-26(31)20-33(35)45/h4-14,19,21,27,29,32-33,35,44-45H,15-18,20,22-24H2,1-3H3,(H,40,46)(H,41,47)/t27-,29+,32+,33-,35?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091612
(4-(4-Chloro-furo[2,3-b]pyridin-5-ylmethyl)-1-[2-hy...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3occc3c2Cl)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H46ClN5O5/c1-38(2,3)42-36(48)31-23-43(21-27-20-40-37-30(33(27)39)13-16-49-37)14-15-44(31)22-28(45)18-26(17-24-9-5-4-6-10-24)35(47)41-34-29-12-8-7-11-25(29)19-32(34)46/h4-13,16,20,26,28,31-32,34,45-46H,14-15,17-19,21-23H2,1-3H3,(H,41,47)(H,42,48)/t26-,28+,31+,32-,34?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091620
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)Show SMILES CSc1ncccc1CN1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C Show InChI InChI=1S/C37H49N5O4S/c1-37(2,3)40-35(46)31-24-41(22-27-14-10-16-38-36(27)47-4)17-18-42(31)23-29(43)20-28(19-25-11-6-5-7-12-25)34(45)39-33-30-15-9-8-13-26(30)21-32(33)44/h5-16,28-29,31-33,43-44H,17-24H2,1-4H3,(H,39,45)(H,40,46)/t28-,29+,31+,32-,33?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091594
(2-{3-tert-Butylcarbamoyl-4-[2-hydroxy-4-(2-hydroxy...)Show SMILES CCOC(=O)c1cnc2oc(CN3CCN(CC(O)CC(Cc4ccccc4)C(=O)NC4C(O)Cc5ccccc45)C(C3)C(=O)NC(C)(C)C)cc2c1 Show InChI InChI=1S/C41H51N5O7/c1-5-52-40(51)30-18-29-20-32(53-39(29)42-22-30)24-45-15-16-46(34(25-45)38(50)44-41(2,3)4)23-31(47)19-28(17-26-11-7-6-8-12-26)37(49)43-36-33-14-10-9-13-27(33)21-35(36)48/h6-14,18,20,22,28,31,34-36,47-48H,5,15-17,19,21,23-25H2,1-4H3,(H,43,49)(H,44,50) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition of Protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091609
(4-Furo[2,3-b]pyridin-2-ylmethyl-1-[2-hydroxy-4-(2-...)Show SMILES CC(C)(C)NC(=O)C1CN(Cc2cc3cccnc3o2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-36(47)32-24-42(23-30-20-27-13-9-15-39-37(27)48-30)16-17-43(32)22-29(44)19-28(18-25-10-5-4-6-11-25)35(46)40-34-31-14-8-7-12-26(31)21-33(34)45/h4-15,20,28-29,32-34,44-45H,16-19,21-24H2,1-3H3,(H,40,46)(H,41,47) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50408997
(CHEMBL2062137 | L-754394)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3occc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-36(47)32-24-42(22-26-18-28-13-16-48-37(28)39-21-26)14-15-43(32)23-30(44)19-29(17-25-9-5-4-6-10-25)35(46)40-34-31-12-8-7-11-27(31)20-33(34)45/h4-13,16,18,21,29-30,32-34,44-45H,14-15,17,19-20,22-24H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,32+,33-,34+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091600
(4-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridin-5-ylmeth...)Show SMILES Cc1nn(C)c2ncc(CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)NC4[C@H](O)Cc5ccccc45)[C@@H](C3)C(=O)NC(C)(C)C)cc12 Show InChI InChI=1S/C39H51N7O4/c1-25-32-18-27(21-40-36(32)44(5)43-25)22-45-15-16-46(33(24-45)38(50)42-39(2,3)4)23-30(47)19-29(17-26-11-7-6-8-12-26)37(49)41-35-31-14-10-9-13-28(31)20-34(35)48/h6-14,18,21,29-30,33-35,47-48H,15-17,19-20,22-24H2,1-5H3,(H,41,49)(H,42,50)/t29-,30+,33+,34-,35?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition of Protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091604
(4-Furo[2,3-c]pyridin-2-ylmethyl-1-[2-hydroxy-4-(2-...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccncc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-37(47)32-24-42(23-30-19-27-13-14-39-21-34(27)48-30)15-16-43(32)22-29(44)18-28(17-25-9-5-4-6-10-25)36(46)40-35-31-12-8-7-11-26(31)20-33(35)45/h4-14,19,21,28-29,32-33,35,44-45H,15-18,20,22-24H2,1-3H3,(H,40,46)(H,41,47)/t28-,29+,32+,33-,35?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50355409
(CHEMBL1835142)Show SMILES Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(cnc(N[C@H](C3CC3)C(F)(F)F)c21)C(N)=O |r| Show InChI InChI=1S/C21H19F3N6O/c1-30-9-12(7-27-30)11-4-5-13-15(6-11)28-17-14(19(25)31)8-26-20(16(13)17)29-18(10-2-3-10)21(22,23)24/h4-10,18,28H,2-3H2,1H3,(H2,25,31)(H,26,29)/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate |
J Med Chem 54: 7334-49 (2011)
Article DOI: 10.1021/jm200909u BindingDB Entry DOI: 10.7270/Q2T43TGS |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM517
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091597
(4-(1H-Benzoimidazol-2-ylmethyl)-1-[2-hydroxy-4-(2-...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H48N6O4/c1-38(2,3)42-37(48)32-23-43(24-34-39-30-15-9-10-16-31(30)40-34)17-18-44(32)22-28(45)20-27(19-25-11-5-4-6-12-25)36(47)41-35-29-14-8-7-13-26(29)21-33(35)46/h4-16,27-28,32-33,35,45-46H,17-24H2,1-3H3,(H,39,40)(H,41,47)(H,42,48)/t27-,28+,32+,33-,35?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091602
(4-(6-Chloro-pyridin-3-ylmethyl)-1-[2-hydroxy-4-(2-...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)nc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H46ClN5O4/c1-36(2,3)40-35(46)30-23-41(21-25-13-14-32(37)38-20-25)15-16-42(30)22-28(43)18-27(17-24-9-5-4-6-10-24)34(45)39-33-29-12-8-7-11-26(29)19-31(33)44/h4-14,20,27-28,30-31,33,43-44H,15-19,21-23H2,1-3H3,(H,39,45)(H,40,46)/t27-,28+,30+,31-,33?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM517
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Evaluated for the inhibition of Protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091593
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)Show SMILES Cc1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)cn1 Show InChI InChI=1S/C37H49N5O4/c1-25-14-15-27(21-38-25)22-41-16-17-42(32(24-41)36(46)40-37(2,3)4)23-30(43)19-29(18-26-10-6-5-7-11-26)35(45)39-34-31-13-9-8-12-28(31)20-33(34)44/h5-15,21,29-30,32-34,43-44H,16-20,22-24H2,1-4H3,(H,39,45)(H,40,46)/t29-,30+,32+,33-,34?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091599
(4-(2,3-Dihydro-furo[2,3-b]pyridin-5-ylmethyl)-1-[2...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3OCCc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H49N5O5/c1-38(2,3)41-36(47)32-24-42(22-26-18-28-13-16-48-37(28)39-21-26)14-15-43(32)23-30(44)19-29(17-25-9-5-4-6-10-25)35(46)40-34-31-12-8-7-11-27(31)20-33(34)45/h4-12,18,21,29-30,32-34,44-45H,13-17,19-20,22-24H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,32+,33-,34?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50355405
(CHEMBL1835153)Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)17(9-1-2-9)31-19-15-12-4-3-10(11-6-28-20(26)29-7-11)5-14(12)30-16(15)13(8-27-19)18(25)32/h3-9,17,30H,1-2H2,(H2,25,32)(H,27,31)(H2,26,28,29)/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate |
J Med Chem 54: 7334-49 (2011)
Article DOI: 10.1021/jm200909u BindingDB Entry DOI: 10.7270/Q2T43TGS |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50355451
(CHEMBL1835137)Show SMILES C[C@H](Nc1ncc(C(N)=O)c2[nH]c3cc(ccc3c12)-c1cnn(C)c1)C1CC1 |r| Show InChI InChI=1S/C21H22N6O/c1-11(12-3-4-12)25-21-18-15-6-5-13(14-8-24-27(2)10-14)7-17(15)26-19(18)16(9-23-21)20(22)28/h5-12,26H,3-4H2,1-2H3,(H2,22,28)(H,23,25)/t11-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate |
J Med Chem 54: 7334-49 (2011)
Article DOI: 10.1021/jm200909u BindingDB Entry DOI: 10.7270/Q2T43TGS |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50355415
(CHEMBL1833986)Show SMILES NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 Show InChI InChI=1S/C23H23N7O/c24-21(31)16-10-26-22(30-19(11-1-2-11)12-3-4-12)18-15-6-5-13(7-17(15)29-20(16)18)14-8-27-23(25)28-9-14/h5-12,19,29H,1-4H2,(H2,24,31)(H,26,30)(H2,25,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate |
J Med Chem 54: 7334-49 (2011)
Article DOI: 10.1021/jm200909u BindingDB Entry DOI: 10.7270/Q2T43TGS |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50355416
(CHEMBL1835149)Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cn[nH]c1 |r| Show InChI InChI=1S/C20H17F3N6O/c21-20(22,23)17(9-1-2-9)29-19-15-12-4-3-10(11-6-26-27-7-11)5-14(12)28-16(15)13(8-25-19)18(24)30/h3-9,17,28H,1-2H2,(H2,24,30)(H,25,29)(H,26,27)/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate |
J Med Chem 54: 7334-49 (2011)
Article DOI: 10.1021/jm200909u BindingDB Entry DOI: 10.7270/Q2T43TGS |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091611
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)Show SMILES COc1ncccc1CN1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C Show InChI InChI=1S/C37H49N5O5/c1-37(2,3)40-35(46)31-24-41(22-27-14-10-16-38-36(27)47-4)17-18-42(31)23-29(43)20-28(19-25-11-6-5-7-12-25)34(45)39-33-30-15-9-8-13-26(30)21-32(33)44/h5-16,28-29,31-33,43-44H,17-24H2,1-4H3,(H,39,45)(H,40,46)/t28-,29+,31+,32-,33?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50355405
(CHEMBL1835153)Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)17(9-1-2-9)31-19-15-12-4-3-10(11-6-28-20(26)29-7-11)5-14(12)30-16(15)13(8-27-19)18(25)32/h3-9,17,30H,1-2H2,(H2,25,32)(H,27,31)(H2,26,28,29)/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of JAK1 |
J Med Chem 54: 7334-49 (2011)
Article DOI: 10.1021/jm200909u BindingDB Entry DOI: 10.7270/Q2T43TGS |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091601
(1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...)Show SMILES CC(C)(C)NC(=O)C1CN(Cc2c[nH]c3ccccc23)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 Show InChI InChI=1S/C39H49N5O4/c1-39(2,3)42-38(48)34-25-43(23-29-22-40-33-16-10-9-14-31(29)33)17-18-44(34)24-30(45)20-28(19-26-11-5-4-6-12-26)37(47)41-36-32-15-8-7-13-27(32)21-35(36)46/h4-16,22,28,30,34-36,40,45-46H,17-21,23-25H2,1-3H3,(H,41,47)(H,42,48) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091617
(4-Benzofuran-5-ylmethyl-1-[2-hydroxy-4-(2-hydroxy-...)Show SMILES CC(C)(C)NC(=O)C1CN(Cc2ccc3occc3c2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 Show InChI InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(23-27-13-14-35-29(20-27)15-18-48-35)16-17-43(33)24-31(44)21-30(19-26-9-5-4-6-10-26)37(46)40-36-32-12-8-7-11-28(32)22-34(36)45/h4-15,18,20,30-31,33-34,36,44-45H,16-17,19,21-25H2,1-3H3,(H,40,46)(H,41,47) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 protease in vitro. |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50091610
(4-(Furo[2,3-b]pyridine-5-carbonyl)-1-[2-hydroxy-4-...)Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)C(=O)c1cnc2occc2c1 Show InChI InChI=1S/C38H45N5O6/c1-38(2,3)41-35(47)31-23-43(37(48)28-18-26-13-16-49-36(26)39-21-28)15-14-42(31)22-29(44)19-27(17-24-9-5-4-6-10-24)34(46)40-33-30-12-8-7-11-25(30)20-32(33)45/h4-13,16,18,21,27,29,31-33,44-45H,14-15,17,19-20,22-23H2,1-3H3,(H,40,46)(H,41,47)/t27-,29+,31+,32-,33?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition of Protease |
J Med Chem 43: 3386-99 (2000)
BindingDB Entry DOI: 10.7270/Q23J3DP4 |
More data for this Ligand-Target Pair | |