Found 369 hits with Last Name = 'quist' and Initial = 'c' 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 |
|---|
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50106479
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Louisiana State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 652-60 (2005)
Article DOI: 10.1124/jpet.105.083436
BindingDB Entry DOI: 10.7270/Q2H41Q0Q |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM86695
(Ac-RYYRWKKKKKKK-NH2 | ZP120)Show SMILES CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)[N+](=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r,wU:50.51,4.3,91.94,27.27,73.76,109.112,wD:100.109,82.85,64.67,39.40,15.14,118.121,(-12.32,.46,;-10.99,1.23,;-10.99,2.77,;-9.65,.46,;-8.36,1.24,;-8.36,2.78,;-9.69,3.55,;-9.69,5.09,;-11.02,5.86,;-11.02,7.4,;-12.36,8.17,;-9.69,8.17,;-7.02,.47,;-7.02,-1.07,;-5.69,1.24,;-4.35,.47,;-4.35,-1.07,;-3.02,-1.84,;-3.02,-3.38,;-1.68,-4.15,;-.35,-3.38,;.98,-4.15,;-.35,-1.84,;-1.68,-1.07,;-3.01,1.24,;-3.01,2.78,;-1.68,.47,;-.36,1.26,;-.36,2.8,;.73,3.89,;.73,5.43,;2.07,6.2,;3.4,5.43,;4.73,6.2,;3.4,3.89,;2.07,3.12,;.98,.49,;.98,-1.05,;2.32,1.26,;3.65,.49,;3.65,-1.05,;4.99,-1.82,;4.99,-3.36,;6.32,-4.13,;6.32,-5.67,;7.65,-6.44,;5.23,-6.76,;4.99,1.26,;4.99,2.8,;6.32,.49,;7.65,1.26,;7.65,2.8,;8.99,3.57,;10.47,3.17,;11.31,4.46,;10.34,5.66,;10.58,7.18,;9.39,8.15,;7.95,7.6,;7.71,6.08,;8.91,5.11,;8.99,.49,;8.99,-1.05,;10.33,1.24,;11.66,.47,;11.66,-1.07,;13,-1.84,;13,-3.38,;14.33,-4.15,;14.33,-5.69,;13,1.24,;13,2.78,;14.33,.47,;15.66,1.25,;15.66,2.79,;16.99,3.56,;16.99,5.1,;18.32,5.87,;18.35,7.41,;16.99,.48,;16.99,-1.06,;18.34,1.23,;19.67,.46,;19.67,-1.08,;21,-1.85,;21,-3.39,;22.34,-4.16,;22.34,-5.7,;21.01,1.23,;21.01,2.77,;22.34,.46,;23.66,1.25,;23.66,2.79,;25,3.56,;25,5.1,;26.33,5.87,;26.35,7.4,;25,.48,;25,-1.06,;26.34,1.24,;27.68,.47,;27.68,-1.07,;29.01,-1.84,;29.01,-3.38,;30.34,-4.15,;30.34,-5.69,;29.01,1.24,;29.01,2.78,;30.34,.46,;31.67,1.25,;31.67,2.79,;33.01,3.56,;33.01,5.1,;34.34,5.87,;34.36,7.4,;33,.48,;33,-1.06,;34.34,1.24,;35.67,.47,;35.67,-1.07,;37,-1.84,;37,-3.38,;38.34,-4.15,;38.34,-5.69,;37.01,1.24,;38.34,.47,;37.01,2.78,)| Show InChI InChI=1S/C84H140N28O15/c1-52(113)100-61(28-18-46-97-83(93)94)73(117)107-69(49-54-33-37-57(115)38-34-54)81(125)108-68(48-53-31-35-56(114)36-32-53)80(124)106-66(29-19-47-98-84(95)96)77(121)109-70(50-55-51-99-59-21-3-2-20-58(55)59)82(126)105-64(25-7-14-42-88)76(120)103-62(23-5-12-40-86)74(118)102-63(24-6-13-41-87)75(119)104-65(26-8-15-43-89)78(122)110-71(30-10-17-45-91)112(127)111-67(27-9-16-44-90)79(123)101-60(72(92)116)22-4-11-39-85/h2-3,20-21,31-38,51,60-71,99H,4-19,22-30,39-50,85-91H2,1H3,(H23-,92,93,94,95,96,97,98,100,101,102,103,104,105,106,107,108,109,110,111,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127)/p+1/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Louisiana State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 314: 652-60 (2005)
Article DOI: 10.1124/jpet.105.083436
BindingDB Entry DOI: 10.7270/Q2H41Q0Q |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255571
(4-(3-Cyano-benzenesulfonylamino)-N-[1-(2S-ethyl-4-...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)C#N)cc1 |r| Show InChI InChI=1S/C29H34N4O6S/c1-3-25-26(24(34)18-39-25)32-28(36)23(16-29(2)13-4-5-14-29)31-27(35)20-9-11-21(12-10-20)33-40(37,38)22-8-6-7-19(15-22)17-30/h6-12,15,23,25-26,33H,3-5,13-14,16,18H2,1-2H3,(H,31,35)(H,32,36)/t23-,25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255790
(4-(2,4-Dimethyl-thiazole-5-sulfonylamino)-N-[1-(2S...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1 |r| Show InChI InChI=1S/C27H36N4O6S2/c1-5-22-23(21(32)15-37-22)30-25(34)20(14-27(4)12-6-7-13-27)29-24(33)18-8-10-19(11-9-18)31-39(35,36)26-16(2)28-17(3)38-26/h8-11,20,22-23,31H,5-7,12-15H2,1-4H3,(H,29,33)(H,30,34)/t20-,22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255627
(4-(2-Cyano-benzenesulfonylamino)-N-[1-(2S-ethyl-4-...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 |r| Show InChI InChI=1S/C29H34N4O6S/c1-3-24-26(23(34)18-39-24)32-28(36)22(16-29(2)14-6-7-15-29)31-27(35)19-10-12-21(13-11-19)33-40(37,38)25-9-5-4-8-20(25)17-30/h4-5,8-13,22,24,26,33H,3,6-7,14-16,18H2,1-2H3,(H,31,35)(H,32,36)/t22-,24-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255133
(4-Benzenesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrah...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C28H35N3O6S/c1-3-24-25(23(32)18-37-24)30-27(34)22(17-28(2)15-7-8-16-28)29-26(33)19-11-13-20(14-12-19)31-38(35,36)21-9-5-4-6-10-21/h4-6,9-14,22,24-25,31H,3,7-8,15-18H2,1-2H3,(H,29,33)(H,30,34)/t22-,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255681
(CHEMBL473448 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cnccc2C)cc1 |r| Show InChI InChI=1S/C28H36N4O6S/c1-4-23-25(22(33)17-38-23)31-27(35)21(15-28(3)12-5-6-13-28)30-26(34)19-7-9-20(10-8-19)32-39(36,37)24-16-29-14-11-18(24)2/h7-11,14,16,21,23,25,32H,4-6,12-13,15,17H2,1-3H3,(H,30,34)(H,31,35)/t21-,23-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255569
(CHEMBL475669 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1 |r| Show InChI InChI=1S/C29H37N3O7S/c1-4-25-26(24(33)18-39-25)31-28(35)23(17-29(2)14-5-6-15-29)30-27(34)19-10-12-20(13-11-19)32-40(36,37)22-9-7-8-21(16-22)38-3/h7-13,16,23,25-26,32H,4-6,14-15,17-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255570
(4-(4-Cyano-benzenesulfonylamino)-N-[1-(2S-ethyl-4-...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)C#N)cc1 |r| Show InChI InChI=1S/C29H34N4O6S/c1-3-25-26(24(34)18-39-25)32-28(36)23(16-29(2)14-4-5-15-29)31-27(35)20-8-10-21(11-9-20)33-40(37,38)22-12-6-19(17-30)7-13-22/h6-13,23,25-26,33H,3-5,14-16,18H2,1-2H3,(H,31,35)(H,32,36)/t23-,25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255499
(4-(4-Amino-benzenesulfonylamino)-N-[1-(2S-ethyl-4-...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 |r| Show InChI InChI=1S/C28H36N4O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)14-4-5-15-28)30-26(34)18-6-10-20(11-7-18)32-39(36,37)21-12-8-19(29)9-13-21/h6-13,22,24-25,32H,3-5,14-17,29H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255949
(4-Ethanesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrahy...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)CC)cc1 |r| Show InChI InChI=1S/C24H35N3O6S/c1-4-20-21(19(28)15-33-20)26-23(30)18(14-24(3)12-6-7-13-24)25-22(29)16-8-10-17(11-9-16)27-34(31,32)5-2/h8-11,18,20-21,27H,4-7,12-15H2,1-3H3,(H,25,29)(H,26,30)/t18-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255456
(CHEMBL474664 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C28H34FN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)14-4-5-15-28)30-26(34)18-6-10-20(11-7-18)32-39(36,37)21-12-8-19(29)9-13-21/h6-13,22,24-25,32H,3-5,14-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255629
(CHEMBL480638 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C27H34N4O6S/c1-3-23-24(22(32)17-37-23)30-26(34)21(15-27(2)12-4-5-13-27)29-25(33)18-8-10-19(11-9-18)31-38(35,36)20-7-6-14-28-16-20/h6-11,14,16,21,23-24,31H,3-5,12-13,15,17H2,1-2H3,(H,29,33)(H,30,34)/t21-,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255680
(CHEMBL480836 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccn2)cc1 |r| Show InChI InChI=1S/C27H34N4O6S/c1-3-22-24(21(32)17-37-22)30-26(34)20(16-27(2)13-5-6-14-27)29-25(33)18-9-11-19(12-10-18)31-38(35,36)23-8-4-7-15-28-23/h4,7-12,15,20,22,24,31H,3,5-6,13-14,16-17H2,1-2H3,(H,29,33)(H,30,34)/t20-,22-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255731
(CHEMBL482218 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 |r| Show InChI InChI=1S/C26H33N3O6S2/c1-3-21-23(20(30)16-35-21)28-25(32)19(15-26(2)12-4-5-13-26)27-24(31)17-8-10-18(11-9-17)29-37(33,34)22-7-6-14-36-22/h6-11,14,19,21,23,29H,3-5,12-13,15-16H2,1-2H3,(H,27,31)(H,28,32)/t19-,21-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255130
(4-Cyclopropanesulfonylamino-N-[1-(2S-ethyl-4-oxo-t...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CC2)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-3-21-22(20(29)15-34-21)27-24(31)19(14-25(2)12-4-5-13-25)26-23(30)16-6-8-17(9-7-16)28-35(32,33)18-10-11-18/h6-9,18-19,21-22,28H,3-5,10-15H2,1-2H3,(H,26,30)(H,27,31)/t19-,21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255849
(CHEMBL471972 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 |r| Show InChI InChI=1S/C23H33N3O6S/c1-4-19-20(18(27)14-32-19)25-22(29)17(13-23(2)11-5-6-12-23)24-21(28)15-7-9-16(10-8-15)26-33(3,30)31/h7-10,17,19-20,26H,4-6,11-14H2,1-3H3,(H,24,28)(H,25,29)/t17-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255628
(CHEMBL481424 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccncc2)cc1 |r| Show InChI InChI=1S/C27H34N4O6S/c1-3-23-24(22(32)17-37-23)30-26(34)21(16-27(2)12-4-5-13-27)29-25(33)18-6-8-19(9-7-18)31-38(35,36)20-10-14-28-15-11-20/h6-11,14-15,21,23-24,31H,3-5,12-13,16-17H2,1-2H3,(H,29,33)(H,30,34)/t21-,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255952
(CHEMBL482348 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1 |r| Show InChI InChI=1S/C25H37N3O6S/c1-5-21-22(20(29)15-34-21)27-24(31)19(14-25(4)12-6-7-13-25)26-23(30)17-8-10-18(11-9-17)28-35(32,33)16(2)3/h8-11,16,19,21-22,28H,5-7,12-15H2,1-4H3,(H,26,30)(H,27,31)/t19-,21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50046732
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50046732
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255500
(CHEMBL475269 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C29H37N3O7S/c1-4-25-26(24(33)18-39-25)31-28(35)23(17-29(2)15-5-6-16-29)30-27(34)19-7-9-20(10-8-19)32-40(36,37)22-13-11-21(38-3)12-14-22/h7-14,23,25-26,32H,4-6,15-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255950
(4-(Butane-1-sulfonylamino)-N-[1-(2S-ethyl-4-oxo-te...)Show SMILES CCCCS(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC1(C)CCCC1)C(=O)N[C@H]1[C@H](CC)OCC1=O |r| Show InChI InChI=1S/C26H39N3O6S/c1-4-6-15-36(33,34)29-19-11-9-18(10-12-19)24(31)27-20(16-26(3)13-7-8-14-26)25(32)28-23-21(30)17-35-22(23)5-2/h9-12,20,22-23,29H,4-8,13-17H2,1-3H3,(H,27,31)(H,28,32)/t20-,22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255457
(CHEMBL474865 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 |r| Show InChI InChI=1S/C28H34FN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-4-5-14-28)30-26(34)18-9-11-20(12-10-18)32-39(36,37)21-8-6-7-19(29)15-21/h6-12,15,22,24-25,32H,3-5,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255458
(CHEMBL515588 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 |r| Show InChI InChI=1S/C28H34FN3O6S/c1-3-23-25(22(33)17-38-23)31-27(35)21(16-28(2)14-6-7-15-28)30-26(34)18-10-12-19(13-11-18)32-39(36,37)24-9-5-4-8-20(24)29/h4-5,8-13,21,23,25,32H,3,6-7,14-17H2,1-2H3,(H,30,34)(H,31,35)/t21-,23-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255498
(CHEMBL475063 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2C)cc1 |r| Show InChI InChI=1S/C29H37N3O6S/c1-4-24-26(23(33)18-38-24)31-28(35)22(17-29(3)15-7-8-16-29)30-27(34)20-11-13-21(14-12-20)32-39(36,37)25-10-6-5-9-19(25)2/h5-6,9-14,22,24,26,32H,4,7-8,15-18H2,1-3H3,(H,30,34)(H,31,35)/t22-,24-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255354
(4-Benzenesulfonylamino-N-[1-(2S-ethyl-4-oxo-tetrah...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 |r| Show InChI InChI=1S/C29H37N3O6S/c1-4-25-26(24(33)18-38-25)31-28(35)23(17-29(3)14-8-9-15-29)30-27(34)20-12-13-22(19(2)16-20)32-39(36,37)21-10-6-5-7-11-21/h5-7,10-13,16,23,25-26,32H,4,8-9,14-15,17-18H2,1-3H3,(H,30,34)(H,31,35)/t23-,25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255732
(CHEMBL519136 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nccn2C)cc1 |r| Show InChI InChI=1S/C26H35N5O6S/c1-4-21-22(20(32)16-37-21)29-24(34)19(15-26(2)11-5-6-12-26)28-23(33)17-7-9-18(10-8-17)30-38(35,36)25-27-13-14-31(25)3/h7-10,13-14,19,21-22,30H,4-6,11-12,15-16H2,1-3H3,(H,28,33)(H,29,34)/t19-,21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50046732
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50046732
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding toNorepinephrine transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255297
(CHEMBL479461 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 |r| Show InChI InChI=1S/C24H35N3O6S/c1-5-20-21(19(28)14-33-20)26-23(30)18(13-24(3)10-6-7-11-24)25-22(29)16-8-9-17(15(2)12-16)27-34(4,31)32/h8-9,12,18,20-21,27H,5-7,10-11,13-14H2,1-4H3,(H,25,29)(H,26,30)/t18-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50093781
(3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3 | Reactome pathway
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50093781
(3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3 | Reactome pathway
KEGG
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding toNorepinephrine transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255132
(4-(N-Dimethylamino)-sulfonylamino-N-[1-(2S-ethyl-4...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 |r| Show InChI InChI=1S/C24H36N4O6S/c1-5-20-21(19(29)15-34-20)26-23(31)18(14-24(2)12-6-7-13-24)25-22(30)16-8-10-17(11-9-16)27-35(32,33)28(3)4/h8-11,18,20-21,27H,5-7,12-15H2,1-4H3,(H,25,30)(H,26,31)/t18-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255351
(3-Chloro-N-[1-(2S-ethyl-4-oxo-tetrahydro-furan-3S-...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C23H32ClN3O6S/c1-4-19-20(18(28)13-33-19)26-22(30)17(12-23(2)9-5-6-10-23)25-21(29)14-7-8-16(15(24)11-14)27-34(3,31)32/h7-8,11,17,19-20,27H,4-6,9-10,12-13H2,1-3H3,(H,25,29)(H,26,30)/t17-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
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UniChem
Similars
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PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255789
(CHEMBL474257 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(cs2)C(C)C)cc1 |r| Show InChI InChI=1S/C28H38N4O6S2/c1-5-23-24(22(33)15-38-23)31-26(35)20(14-28(4)12-6-7-13-28)29-25(34)18-8-10-19(11-9-18)32-40(36,37)27-30-21(16-39-27)17(2)3/h8-11,16-17,20,23-24,32H,5-7,12-15H2,1-4H3,(H,29,34)(H,31,35)/t20-,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50046737
(3-(4-Fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-c...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | Reactome pathway
KEGG
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| CHEMBL
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255682
(4-(2-Chloro-pyridine-3-sulfonylamino)-N-[1-(2S-eth...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 |r| Show InChI InChI=1S/C27H33ClN4O6S/c1-3-21-23(20(33)16-38-21)31-26(35)19(15-27(2)12-4-5-13-27)30-25(34)17-8-10-18(11-9-17)32-39(36,37)22-7-6-14-29-24(22)28/h6-11,14,19,21,23,32H,3-5,12-13,15-16H2,1-2H3,(H,30,34)(H,31,35)/t19-,21-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
Similars
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PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50046737
(3-(4-Fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-c...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255951
(CHEMBL519633 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H30F3N3O6S/c1-3-18-19(17(30)13-35-18)28-21(32)16(12-22(2)10-4-5-11-22)27-20(31)14-6-8-15(9-7-14)29-36(33,34)23(24,25)26/h6-9,16,18-19,29H,3-5,10-13H2,1-2H3,(H,27,31)(H,28,32)/t16-,18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50046737
(3-(4-Fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-c...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | PDB
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| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50046737
(3-(4-Fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-c...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | PDB
KEGG
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| CHEMBL
PC cid
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UniChem
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| PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255791
(CHEMBL481986 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ncc(C)s2)cc1 |r| Show InChI InChI=1S/C26H34N4O6S2/c1-4-21-22(20(31)15-36-21)29-24(33)19(13-26(3)11-5-6-12-26)28-23(32)17-7-9-18(10-8-17)30-38(34,35)25-27-14-16(2)37-25/h7-10,14,19,21-22,30H,4-6,11-13,15H2,1-3H3,(H,28,32)(H,29,33)/t19-,21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255408
(4-Benzenesulfonylamino-3-chloro-N-[1-(2S-ethyl-4-o...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C28H34ClN3O6S/c1-3-24-25(23(33)17-38-24)31-27(35)22(16-28(2)13-7-8-14-28)30-26(34)18-11-12-21(20(29)15-18)32-39(36,37)19-9-5-4-6-10-19/h4-6,9-12,15,22,24-25,32H,3,7-8,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t22-,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255894
(CHEMBL481503 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H33N3O6S/c1-4-19-20(18(27)14-32-19)25-22(29)17(13-23(2)10-5-6-11-23)24-21(28)15-8-7-9-16(12-15)26-33(3,30)31/h7-9,12,17,19-20,26H,4-6,10-11,13-14H2,1-3H3,(H,24,28)(H,25,29)/t17-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255733
(CHEMBL481433 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2nc(C)cs2)cc1 |r| Show InChI InChI=1S/C26H34N4O6S2/c1-4-21-22(20(31)14-36-21)29-24(33)19(13-26(3)11-5-6-12-26)28-23(32)17-7-9-18(10-8-17)30-38(34,35)25-27-16(2)15-37-25/h7-10,15,19,21-22,30H,4-6,11-14H2,1-3H3,(H,28,32)(H,29,33)/t19-,21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255352
(CHEMBL481034 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C23H32FN3O6S/c1-4-19-20(18(28)13-33-19)26-22(30)17(12-23(2)9-5-6-10-23)25-21(29)14-7-8-16(15(24)11-14)27-34(3,31)32/h7-8,11,17,19-20,27H,4-6,9-10,12-13H2,1-3H3,(H,25,29)(H,26,30)/t17-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255295
(CHEMBL480634 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(OC)c1 |r| Show InChI InChI=1S/C24H35N3O7S/c1-5-19-21(18(28)14-34-19)26-23(30)17(13-24(2)10-6-7-11-24)25-22(29)15-8-9-16(20(12-15)33-3)27-35(4,31)32/h8-9,12,17,19,21,27H,5-7,10-11,13-14H2,1-4H3,(H,25,29)(H,26,30)/t17-,19-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255298
(CHEMBL516749 | N-[1-(2S-Ethyl-4-oxo-tetrahydro-fur...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)cc1C |r| Show InChI InChI=1S/C24H35N3O6S/c1-5-20-21(19(28)14-33-20)26-23(30)18(13-24(3)10-6-7-11-24)25-22(29)17-9-8-16(12-15(17)2)27-34(4,31)32/h8-9,12,18,20-21,27H,5-7,10-11,13-14H2,1-4H3,(H,25,29)(H,26,30)/t18-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50255848
(CHEMBL512367 | N-((S)-1-((2S,3S)-2-ethyl-4-oxotetr...)Show SMILES CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccsc1 |r| Show InChI InChI=1S/C18H26N2O4S/c1-5-14-15(13(21)9-24-14)20-17(23)12(8-18(2,3)4)19-16(22)11-6-7-25-10-11/h6-7,10,12,14-15H,5,8-9H2,1-4H3,(H,19,22)(H,20,23)/t12-,14-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay |
Bioorg Med Chem 17: 1307-24 (2009)
Article DOI: 10.1016/j.bmc.2008.12.020
BindingDB Entry DOI: 10.7270/Q2GX4BD9 |
More data for this
Ligand-Target Pair | |
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