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17 similar compounds to monomer 50162832

Compile data set for download or QSAR
Wt: 603.5
BDBM50162822
Wt: 664.0
BDBM50162824
Wt: 651.1
BDBM50162827
Wt: 617.5
BDBM50162828
Wt: 627.5
BDBM50162836
Wt: 602.6
BDBM50162838
Wt: 599.1
BDBM50162839
Wt: 617.0
BDBM50162841
Wt: 646.7
BDBM50162843
Wt: 618.6
BDBM50162847
Wt: 667.1
BDBM50162848
Wt: 641.7
BDBM50162851
Wt: 633.5
BDBM50162853
Wt: 617.0
BDBM50162854
Wt: 652.0
BDBM50162856
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50162822,50162824,50162827,50162828,50162836,50162838,50162839,50162841,50162843,50162847,50162848,50162851,50162853,50162854,50162856   
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
Cathepsin S


(Homo sapiens (Human))
BDBM50162822
PNG
(1-(1-{3-[3-(3,4-Dichloro-phenyl)-5-methanesulfonyl...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H32Cl2N6O3S/c1-40(38,39)34-16-11-25-21(18-34)27(19-7-8-22(29)23(30)17-19)32-35(25)13-4-12-33-14-9-20(10-15-33)36-26-6-3-2-5-24(26)31-28(36)37/h2-3,5-8,17,20H,4,9-16,18H2,1H3,(H,31,37)
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n/an/a 10n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162828
PNG
(1-(1-(3-(3-(3,4-dichlorophenyl)-5-(methylsulfonyl)...)
Show SMILES Cn1c2ccccc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(Cl)c(Cl)c3)CC2)c1=O
Show InChI InChI=1S/C29H34Cl2N6O3S/c1-33-26-6-3-4-7-27(26)37(29(33)38)21-10-15-34(16-11-21)13-5-14-36-25-12-17-35(41(2,39)40)19-22(25)28(32-36)20-8-9-23(30)24(31)18-20/h3-4,6-9,18,21H,5,10-17,19H2,1-2H3
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells by invariant chain degradation assay


Bioorg Med Chem Lett 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162828
PNG
(1-(1-(3-(3-(3,4-dichlorophenyl)-5-(methylsulfonyl)...)
Show SMILES Cn1c2ccccc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(Cl)c(Cl)c3)CC2)c1=O
Show InChI InChI=1S/C29H34Cl2N6O3S/c1-33-26-6-3-4-7-27(26)37(29(33)38)21-10-15-34(16-11-21)13-5-14-36-25-12-17-35(41(2,39)40)19-22(25)28(32-36)20-8-9-23(30)24(31)18-20/h3-4,6-9,18,21H,5,10-17,19H2,1-2H3
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Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162836
PNG
(1-(1-{3-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,...)
Show SMILES Cn1c2ccccc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(Br)cc3)CC2)c1=O
Show InChI InChI=1S/C29H35BrN6O3S/c1-32-26-6-3-4-7-27(26)36(29(32)37)23-12-17-33(18-13-23)15-5-16-35-25-14-19-34(40(2,38)39)20-24(25)28(31-35)21-8-10-22(30)11-9-21/h3-4,6-11,23H,5,12-20H2,1-2H3
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n/an/a 140n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162838
PNG
(1-(1-{3-[5-Methanesulfonyl-3-(4-trifluoromethyl-ph...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H33F3N6O3S/c1-42(40,41)36-18-13-25-23(19-36)27(20-7-9-21(10-8-20)29(30,31)32)34-37(25)15-4-14-35-16-11-22(12-17-35)38-26-6-3-2-5-24(26)33-28(38)39/h2-3,5-10,22H,4,11-19H2,1H3,(H,33,39)
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n/an/a 50n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162841
PNG
(1-(1-{(S)-3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)...)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCC(CC1)n1c2cc(Cl)ccc2[nH]c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H32ClF3N6O3/c1-18(41)38-13-10-26-24(17-38)28(19-2-4-20(5-3-19)30(32,33)34)36-39(26)16-23(42)15-37-11-8-22(9-12-37)40-27-14-21(31)6-7-25(27)35-29(40)43/h2-7,14,22-23,42H,8-13,15-17H2,1H3,(H,35,43)/t23-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162839
PNG
(1-(1-{3-[3-(4-Chloro-3-methyl-phenyl)-5-methanesul...)
Show SMILES Cc1cc(ccc1Cl)-c1nn(CC(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1/C29H35ClN6O4S/c1-19-15-20(7-8-24(19)30)28-23-18-34(41(2,39)40)14-11-26(23)35(32-28)17-22(37)16-33-12-9-21(10-13-33)36-27-6-4-3-5-25(27)31-29(36)38/h3-8,15,21-22,37H,9-14,16-18H2,1-2H3,(H,31,38)
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n/an/a 60n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162827
PNG
(5-Chloro-3-(1-{3-[5-methanesulfonyl-3-(4-trifluoro...)
Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(cc3)C(F)(F)F)CC2)c1=O
Show InChI InChI=1S/C30H34ClF3N6O3S/c1-36-26-9-8-22(31)18-27(26)40(29(36)41)23-10-15-37(16-11-23)13-3-14-39-25-12-17-38(44(2,42)43)19-24(25)28(35-39)20-4-6-21(7-5-20)30(32,33)34/h4-9,18,23H,3,10-17,19H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162843
PNG
(3-(1-{2-Hydroxy-3-[5-methanesulfonyl-3-(4-trifluor...)
Show SMILES Cc1ccc2n(C)c(=O)n(C3CCN(CC(O)Cn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(cc4)C(F)(F)F)CC3)c2c1
Show InChI InChI=1/C31H37F3N6O4S/c1-20-4-9-27-28(16-20)40(30(42)36(27)2)23-10-13-37(14-11-23)17-24(41)18-39-26-12-15-38(45(3,43)44)19-25(26)29(35-39)21-5-7-22(8-6-21)31(32,33)34/h4-9,16,23-24,41H,10-15,17-19H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162847
PNG
(1-(1-{2-Hydroxy-3-[5-methanesulfonyl-3-(4-trifluor...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C29H33F3N6O4S/c1-43(41,42)36-15-12-25-23(18-36)27(19-6-8-20(9-7-19)29(30,31)32)34-37(25)17-22(39)16-35-13-10-21(11-14-35)38-26-5-3-2-4-24(26)33-28(38)40/h2-9,21-22,39H,10-18H2,1H3,(H,33,40)
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n/an/a 50n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162851
PNG
(CHEMBL361545 | [3-(1-{3-[5-Methanesulfonyl-3-(4-tr...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)n1c2ccccc2n(CC#N)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H34F3N7O3S/c1-45(43,44)38-19-13-26-25(21-38)29(22-7-9-23(10-8-22)31(32,33)34)36-40(26)16-4-15-37-17-11-24(12-18-37)41-28-6-3-2-5-27(28)39(20-14-35)30(41)42/h2-3,5-10,24H,4,11-13,15-21H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162848
PNG
(5-Chloro-3-(1-{2-hydroxy-3-[5-methanesulfonyl-3-(4...)
Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CC(O)Cn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(cc3)C(F)(F)F)CC2)c1=O
Show InChI InChI=1/C30H34ClF3N6O4S/c1-36-26-8-7-21(31)15-27(26)40(29(36)42)22-9-12-37(13-10-22)16-23(41)17-39-25-11-14-38(45(2,43)44)18-24(25)28(35-39)19-3-5-20(6-4-19)30(32,33)34/h3-8,15,22-23,41H,9-14,16-18H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162853
PNG
(6-Chloro-1-(1-{3-[3-(4-chloro-3-methyl-phenyl)-5-m...)
Show SMILES Cc1cc(ccc1Cl)-c1nn(CC(O)CN2CCC(CC2)n2c3cc(Cl)ccc3[nH]c2=O)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1/C29H34Cl2N6O4S/c1-18-13-19(3-5-24(18)31)28-23-17-35(42(2,40)41)12-9-26(23)36(33-28)16-22(38)15-34-10-7-21(8-11-34)37-27-14-20(30)4-6-25(27)32-29(37)39/h3-6,13-14,21-22,38H,7-12,15-17H2,1-2H3,(H,32,39)
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n/an/a 50n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162854
PNG
(1-(1-{(R)-3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)...)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C[C@H](O)CN1CCC(CC1)n1c2cc(Cl)ccc2[nH]c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H32ClF3N6O3/c1-18(41)38-13-10-26-24(17-38)28(19-2-4-20(5-3-19)30(32,33)34)36-39(26)16-23(42)15-37-11-8-22(9-12-37)40-27-14-21(31)6-7-25(27)35-29(40)43/h2-7,14,22-23,42H,8-13,15-17H2,1H3,(H,35,43)/t23-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162856
PNG
(5-Chloro-3-(1-{3-[3-(3,4-dichloro-phenyl)-5-methan...)
Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(Cl)c(Cl)c3)CC2)c1=O
Show InChI InChI=1S/C29H33Cl3N6O3S/c1-34-26-7-5-20(30)17-27(26)38(29(34)39)21-8-13-35(14-9-21)11-3-12-37-25-10-15-36(42(2,40)41)18-22(25)28(33-37)19-4-6-23(31)24(32)16-19/h4-7,16-17,21H,3,8-15,18H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162828
PNG
(1-(1-(3-(3-(3,4-dichlorophenyl)-5-(methylsulfonyl)...)
Show SMILES Cn1c2ccccc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(Cl)c(Cl)c3)CC2)c1=O
Show InChI InChI=1S/C29H34Cl2N6O3S/c1-33-26-6-3-4-7-27(26)37(29(33)38)21-10-15-34(16-11-21)13-5-14-36-25-12-17-35(41(2,39)40)19-22(25)28(32-36)20-8-9-23(30)24(31)18-20/h3-4,6-9,18,21H,5,10-17,19H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 17: 5525-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.038
BindingDB Entry DOI: 10.7270/Q2ST7PKK
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50162824
PNG
(1-(1-{3-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)n1c2cc(Cl)ccc2[nH]c1=O)-c1ccc(Br)cc1
Show InChI InChI=1/C28H32BrClN6O4S/c1-41(39,40)34-13-10-25-23(17-34)27(18-2-4-19(29)5-3-18)32-35(25)16-22(37)15-33-11-8-21(9-12-33)36-26-14-20(30)6-7-24(26)31-28(36)38/h2-7,14,21-22,37H,8-13,15-17H2,1H3,(H,31,38)
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin S


Bioorg Med Chem Lett 15: 1687-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.045
BindingDB Entry DOI: 10.7270/Q2HM57ZT
More data for this
Ligand-Target Pair