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There are 21 purchasable compounds for target: HIV-1 protease wild type

Wt: 189.2
BDBM31879
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Wt: 543.5
BDBM43839
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Wt: 356.3
BDBM43841
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Wt: 443.5
BDBM43842
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Wt: 305.3
BDBM43843
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Wt: 337.3
BDBM43844
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Wt: 325.7
BDBM43845
Wt: 351.3
BDBM43846
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Wt: 298.3
BDBM43847
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Wt: 272.3
BDBM43848
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Wt: 385.5
BDBM43849
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Wt: 390.4
BDBM43851
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Wt: 310.3
BDBM43852
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Wt: 426.8
BDBM43853
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Wt: 222.6
BDBM50175452
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Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 31879,43839,43841,43842,43843,43844,43845,43846,43847,43848,43849,43851,43852,43853,50175452   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 protease


(Human immunodeficiency virus)
BDBM43853
PNG
(3-[(4-chlorophenyl)sulfonylamino]propanoic acid [2...)
Show SMILES COc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H19ClN2O6S/c1-26-15-6-4-14(5-7-15)21-17(22)12-27-18(23)10-11-20-28(24,25)16-8-2-13(19)3-9-16/h2-9,20H,10-12H2,1H3,(H,21,22)
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1.5 -12.5n/an/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43852
PNG
(2-[4-(4-methylphenyl)-2-(2-pyridinyl)-5-thiazolyl]...)
Show SMILES Cc1ccc(cc1)-c1nc(sc1CC(O)=O)-c1ccccn1
Show InChI InChI=1S/C17H14N2O2S/c1-11-5-7-12(8-6-11)16-14(10-15(20)21)22-17(19-16)13-4-2-3-9-18-13/h2-9H,10H2,1H3,(H,20,21)
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2 -12.3n/an/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43842
PNG
(Acid, 24 | MLS001010895 | N-(1,1-diketothiolan-3-y...)
Show SMILES CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1
Show InChI InChI=1S/C20H21N5O3S2/c1-24(17-9-12-30(27,28)14-17)18(26)13-29-20-23-22-19(15-7-10-21-11-8-15)25(20)16-5-3-2-4-6-16/h2-8,10-11,17H,9,12-14H2,1H3
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n/an/a 10n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43843
PNG
((E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-...)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1
Show InChI InChI=1S/C18H15N3O2/c22-17(23)9-8-16-13-21(12-14-5-2-1-3-6-14)20-18(16)15-7-4-10-19-11-15/h1-11,13H,12H2,(H,22,23)/b9-8+
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n/an/a 10n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43844
PNG
(1-benzyl-N-(2-fluorobenzyl)-3,5-dimethyl-pyrazole-...)
Show SMILES Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1F
Show InChI InChI=1S/C20H20FN3O/c1-14-19(20(25)22-12-17-10-6-7-11-18(17)21)15(2)24(23-14)13-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)
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n/an/a 6n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43845
PNG
(2-[(2-chlorophenyl)hydrazo]-2-(2-oxolanylmethylimi...)
Show SMILES CCOC(=O)C(NNc1ccccc1Cl)=NCC1CCCO1
Show InChI InChI=1S/C15H20ClN3O3/c1-2-21-15(20)14(17-10-11-6-5-9-22-11)19-18-13-8-4-3-7-12(13)16/h3-4,7-8,11,18H,2,5-6,9-10H2,1H3,(H,17,19)
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n/an/a 20n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43846
PNG
(3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4,5-dih...)
Show SMILES O=C(NC1=NCCS1)c1cccc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H13N3O3S/c22-15(20-18-19-8-9-25-18)11-4-3-5-12(10-11)21-16(23)13-6-1-2-7-14(13)17(21)24/h1-7,10H,8-9H2,(H,19,20,22)
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n/an/a>50n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43847
PNG
(3-cyclopentylpropanoic acid [2-[[(tert-butylamino)...)
Show SMILES CC(C)(C)NC(=O)NC(=O)COC(=O)CCC1CCCC1
Show InChI InChI=1S/C15H26N2O4/c1-15(2,3)17-14(20)16-12(18)10-21-13(19)9-8-11-6-4-5-7-11/h11H,4-10H2,1-3H3,(H2,16,17,18,20)
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n/an/a>50n/an/an/an/a5.637



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Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43848
PNG
(6-diazanyl-N,N-di(propan-2-yl)pyridine-3-sulfonami...)
Show SMILES CC(C)N(C(C)C)S(=O)(=O)c1ccc(NN)nc1
Show InChI InChI=1S/C11H20N4O2S/c1-8(2)15(9(3)4)18(16,17)10-5-6-11(14-12)13-7-10/h5-9H,12H2,1-4H3,(H,13,14)
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n/an/a 10n/an/an/an/a5.637



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Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43849
PNG
(2-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-5...)
Show SMILES CC(Sc1nc(C)cs1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C18H15N3OS3/c1-10-8-24-18(19-10)25-11(2)15-20-16(22)14-13(9-23-17(14)21-15)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,20,21,22)
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n/an/a 10n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43851
PNG
(4-(2-furanylmethylsulfamoyl)-N-methyl-N-(thiophen-...)
Show SMILES CN(Cc1cccs1)C(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1
Show InChI InChI=1S/C18H18N2O4S2/c1-20(13-16-5-3-11-25-16)18(21)14-6-8-17(9-7-14)26(22,23)19-12-15-4-2-10-24-15/h2-11,19H,12-13H2,1H3
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n/an/a>50n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM50175452
PNG
(5-(4-chlorophenyl)furan-2-carboxylic acid | Acid, ...)
Show SMILES OC(=O)c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a 10n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM43841
PNG
((E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3...)
Show SMILES CC(=O)N(c1nc(\C=C\C(O)=O)cs1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3S/c1-9(21)20(12-4-2-3-10(7-12)15(16,17)18)14-19-11(8-24-14)5-6-13(22)23/h2-8H,1H3,(H,22,23)/b6-5+
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n/an/a>50n/an/an/an/a5.637



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Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM31879
PNG
(3-indolepropionic acid | Acid, 7)
Show SMILES OC(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
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n/an/a 10n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease


(Human immunodeficiency virus)
BDBM43839
PNG
(Acid, 8)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1
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KEGG
PC cid
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n/an/a 14n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair