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21 similar compounds to monomer 50134195

Compile data set for download or QSAR
Wt: 593.6
BDBM50111454
Wt: 625.6
BDBM50111455
Wt: 611.5
BDBM50111464
Wt: 549.5
BDBM50111468
Wt: 413.5
BDBM50110350
Wt: 413.4
BDBM50134191
Wt: 439.4
BDBM50134194
Wt: 418.2
BDBM50134197
Wt: 328.3
BDBM50134198
Wt: 430.2
BDBM50134196
Wt: 915.9
BDBM50134199
Wt: 797.7
BDBM50134200
Wt: 283.4
BDBM50134201
Wt: 427.4
BDBM50134192
Wt: 481.4
BDBM50134193
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50111454,50111455,50111464,50111468,50110350,50134191,50134194,50134197,50134198,50134196,50134199,50134200,50134201,50134192,50134193   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50134199
PNG
(CHEMBL3735057)
Show SMILES NCCCC[C@H](NC(=O)CNC(=O)Nc1ccc2n(Cc3c(Cl)cccc3Cl)cc(CN3CCCC3)c2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C51H56Cl2N8O4/c52-42-21-14-22-43(53)41(42)34-61-33-38(32-60-27-12-13-28-60)40-30-39(24-25-46(40)61)56-51(65)55-31-47(62)57-44(23-10-11-26-54)49(63)58-45(29-35-15-4-1-5-16-35)50(64)59-48(36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-9,14-22,24-25,30,33,44-45,48H,10-13,23,26-29,31-32,34,54H2,(H,57,62)(H,58,63)(H,59,64)(H2,55,56,65)/t44-,45+/m0/s1
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627n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]furoyl-LIGRL-NH2 from human protease-activated receptor 2 in NCTC-2544 cells


Bioorg Med Chem 23: 7717-27 (2015)


Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50134200
PNG
(CHEMBL3735405)
Show SMILES NCC[C@H](NC(=O)CNC(=O)Nc1ccc2n(Cc3c(Cl)cccc3Cl)cc(CN3CCCC3)c2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C42H46Cl2N8O4/c43-34-14-9-15-35(44)33(34)27-52-26-29(25-51-20-7-8-21-51)32-23-31(16-17-38(32)52)48-42(56)46-24-39(53)49-36(18-19-45)40(54)50-37(22-28-10-3-1-4-11-28)41(55)47-30-12-5-2-6-13-30/h1-6,9-17,23,26,36-37H,7-8,18-22,24-25,27,45H2,(H,47,55)(H,49,53)(H,50,54)(H2,46,48,56)/t36-,37+/m0/s1
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1.94E+3n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]furoyl-LIGRL-NH2 from human protease-activated receptor 2 in NCTC-2544 cells


Bioorg Med Chem 23: 7717-27 (2015)


Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 85n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 10)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 23)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 33n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 3)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111464
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H31F2N5O7/c1-3-43-26(38)9-7-20(16-19-10-11-33-27(19)39)34-29(41)25(15-18-6-8-21(31)22(32)14-18)37-12-4-5-23(30(37)42)35-28(40)24-13-17(2)44-36-24/h4-9,12-14,19-20,25H,3,10-11,15-16H2,1-2H3,(H,33,39)(H,34,41)(H,35,40)/b9-7+/t19-,20+,25-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 10)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 109n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 9)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 36n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 16)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 14)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 78)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 2)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111454
PNG
(4-(3-(4-Fluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H32FN5O7/c1-3-42-26(37)11-10-22(17-20-12-13-32-27(20)38)33-29(40)25(16-19-6-8-21(31)9-7-19)36-14-4-5-23(30(36)41)34-28(39)24-15-18(2)43-35-24/h4-11,14-15,20,22,25H,3,12-13,16-17H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t20-,22+,25-/m0/s1
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Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111454
PNG
(4-(3-(4-Fluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H32FN5O7/c1-3-42-26(37)11-10-22(17-20-12-13-32-27(20)38)33-29(40)25(16-19-6-8-21(31)9-7-19)36-14-4-5-23(30(36)41)34-28(39)24-15-18(2)43-35-24/h4-11,14-15,20,22,25H,3,12-13,16-17H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t20-,22+,25-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 1A)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 11)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 19)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype Hanks)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 25)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111454
PNG
(4-(3-(4-Fluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H32FN5O7/c1-3-42-26(37)11-10-22(17-20-12-13-32-27(20)38)33-29(40)25(16-19-6-8-21(31)9-7-19)36-14-4-5-23(30(36)41)34-28(39)24-15-18(2)43-35-24/h4-11,14-15,20,22,25H,3,12-13,16-17H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t20-,22+,25-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 10)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111468
PNG
(6-Carbamoyl-4-(2-{3-[(5-methyl-isoxazole-3-carbony...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C28H31N5O7/c1-3-39-25(35)14-12-20(11-13-24(29)34)30-27(37)23(17-19-8-5-4-6-9-19)33-15-7-10-21(28(33)38)31-26(36)22-16-18(2)40-32-22/h4-10,12,14-16,20,23H,3,11,13,17H2,1-2H3,(H2,29,34)(H,30,37)(H,31,36)/b14-12+/t20-,23-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 39)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 132n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 1A)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111464
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H31F2N5O7/c1-3-43-26(38)9-7-20(16-19-10-11-33-27(19)39)34-29(41)25(15-18-6-8-21(31)22(32)14-18)37-12-4-5-23(30(37)42)35-28(40)24-13-17(2)44-36-24/h4-9,12-14,19-20,25H,3,10-11,15-16H2,1-2H3,(H,33,39)(H,34,41)(H,35,40)/b9-7+/t19-,20+,25-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110350
PNG
(CHEMBL3605446)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
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n/an/a 484n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by ELISA method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110350
PNG
(CHEMBL3605446)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
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n/an/a 34n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110350
PNG
(CHEMBL3605446)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
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n/an/a 7n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50134191
PNG
(CHEMBL3734769)
Show SMILES CS(=O)(=O)Nc1n[nH]c2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C17H21F2N5O3S/c1-28(25,26)23-17-12-6-24(7-15(12)21-22-17)10-5-14(20)16(27-8-10)11-4-9(18)2-3-13(11)19/h2-4,10,14,16H,5-8,20H2,1H3,(H2,21,22,23)/t10-,14+,16-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50134192
PNG
(CHEMBL3734828)
Show SMILES CCS(=O)(=O)Nc1n[nH]c2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C18H23F2N5O3S/c1-2-29(26,27)24-18-13-7-25(8-16(13)22-23-18)11-6-15(21)17(28-9-11)12-5-10(19)3-4-14(12)20/h3-5,11,15,17H,2,6-9,21H2,1H3,(H2,22,23,24)/t11-,15+,17-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50134193
PNG
(CHEMBL3735461)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NS(=O)(=O)CC(F)(F)F)c2C1
Show InChI InChI=1S/C18H20F5N5O3S/c19-9-1-2-13(20)11(3-9)16-14(24)4-10(7-31-16)28-5-12-15(6-28)25-26-17(12)27-32(29,30)8-18(21,22)23/h1-3,10,14,16H,4-8,24H2,(H2,25,26,27)/t10-,14+,16-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50134194
PNG
(CHEMBL3734999)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NS(=O)(=O)C3CC3)c2C1
Show InChI InChI=1S/C19H23F2N5O3S/c20-10-1-4-15(21)13(5-10)18-16(22)6-11(9-29-18)26-7-14-17(8-26)23-24-19(14)25-30(27,28)12-2-3-12/h1,4-5,11-12,16,18H,2-3,6-9,22H2,(H2,23,24,25)/t11-,16+,18-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50134196
PNG
(CHEMBL3736126)
Show SMILES COc1ccc2nc(Oc3ccc(Cl)cc3Cl)nc(NCc3occc3C)c2c1
Show InChI InChI=1S/C21H17Cl2N3O3/c1-12-7-8-28-19(12)11-24-20-15-10-14(27-2)4-5-17(15)25-21(26-20)29-18-6-3-13(22)9-16(18)23/h3-10H,11H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flu...


Bioorg Med Chem 23: 7717-27 (2015)


Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50134197
PNG
(CHEMBL3735493)
Show SMILES Cc1ccoc1CNc1nc(Oc2cc(Cl)cc(Cl)c2)nc2ccc(F)cc12
Show InChI InChI=1S/C20H14Cl2FN3O2/c1-11-4-5-27-18(11)10-24-19-16-9-14(23)2-3-17(16)25-20(26-19)28-15-7-12(21)6-13(22)8-15/h2-9H,10H2,1H3,(H,24,25,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flu...


Bioorg Med Chem 23: 7717-27 (2015)


Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50134198
PNG
(CHEMBL1684609)
Show SMILES CCCCCNc1nc(NCc2ccco2)c2cc(F)ccc2n1
Show InChI InChI=1S/C18H21FN4O/c1-2-3-4-9-20-18-22-16-8-7-13(19)11-15(16)17(23-18)21-12-14-6-5-10-24-14/h5-8,10-11H,2-4,9,12H2,1H3,(H2,20,21,22,23)
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n/an/a 690n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flu...


Bioorg Med Chem 23: 7717-27 (2015)


Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50134201
PNG
(CHEMBL3734977)
Show SMILES CC(C)CC(=O)N1CCN(CC1)C(=O)CCCCCN
Show InChI InChI=1S/C15H29N3O2/c1-13(2)12-15(20)18-10-8-17(9-11-18)14(19)6-4-3-5-7-16/h13H,3-12,16H2,1-2H3
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n/an/a 5.00E+6n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]furoyl-LIGRL-NH2 from human protease-activated receptor 2 in NCTC-2544 cells


Bioorg Med Chem 23: 7717-27 (2015)


Article DOI: 10.1016/j.bmc.2015.11.016
BindingDB Entry DOI: 10.7270/Q2VH5QP3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111464
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H31F2N5O7/c1-3-43-26(38)9-7-20(16-19-10-11-33-27(19)39)34-29(41)25(15-18-6-8-21(31)22(32)14-18)37-12-4-5-23(30(37)42)35-28(40)24-13-17(2)44-36-24/h4-9,12-14,19-20,25H,3,10-11,15-16H2,1-2H3,(H,33,39)(H,34,41)(H,35,40)/b9-7+/t19-,20+,25-/m0/s1
MMDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 1A)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
MMDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 44n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 13)


J Med Chem 45: 1607-23 (2002)


Article DOI: 10.1021/jm010469k
BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair