Found 1730 hits with Last Name = 'hu' and Initial = 'jm' 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 |
|---|
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061031
((S)-1-[(S)-2-(4-Benzenesulfonylaminocarbonyl-benzo...)Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C39H45F2N5O8S/c1-24(2)31(33(47)39(40,41)38(52)42-22-21-26-12-7-5-8-13-26)43-36(50)30-16-11-23-46(30)37(51)32(25(3)4)44-34(48)27-17-19-28(20-18-27)35(49)45-55(53,54)29-14-9-6-10-15-29/h5-10,12-15,17-20,24-25,30-32H,11,16,21-23H2,1-4H3,(H,42,52)(H,43,50)(H,44,48)(H,45,49)/t30-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296336
((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...)Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)| Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296336
((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...)Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)| Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
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| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296331
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)| Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1 | PDB
Reactome pathway
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| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296331
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)| Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1 | PDB
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Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50296331
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)| Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1 | UniProtKB/SwissProt
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50296329
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)| Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1 | UniProtKB/SwissProt
antibodypedia
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296329
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)| Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1 | PDB
Reactome pathway
KEGG
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PC cid
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296329
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)| Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1 | PDB
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50296336
((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...)Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)| Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1 | UniProtKB/SwissProt
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1 | UniProtKB/SwissProt
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1 | PDB
Reactome pathway
KEGG
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| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061047
(((S)-2,2-Difluoro-5-methyl-4-{[(S)-1-((S)-3-methyl...)Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C29H42F2N4O7/c1-6-7-16-41-27(39)32-17-29(30,31)24(36)22(18(2)3)33-25(37)21-14-11-15-35(21)26(38)23(19(4)5)34-28(40)42-20-12-9-8-10-13-20/h8-10,12-13,18-19,21-23H,6-7,11,14-17H2,1-5H3,(H,32,39)(H,33,37)(H,34,40)/t21-,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061028
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1 Show InChI InChI=1S/C32H42F2N4O5/c1-20(2)26(28(39)32(33,34)19-35-18-22-10-7-6-8-11-22)36-30(41)25-12-9-17-38(25)31(42)27(21(3)4)37-29(40)23-13-15-24(43-5)16-14-23/h6-8,10-11,13-16,20-21,25-27,35H,9,12,17-19H2,1-5H3,(H,36,41)(H,37,40)/t25-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061043
(CHEMBL106592 | [(S)-1-((S)-2-{(S)-3,3-Difluoro-1-i...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)c1cccnc1 Show InChI InChI=1S/C30H37F2N5O6/c1-18(2)23(25(38)30(31,32)17-34-26(39)20-10-8-14-33-16-20)35-27(40)22-13-9-15-37(22)28(41)24(19(3)4)36-29(42)43-21-11-6-5-7-12-21/h5-8,10-12,14,16,18-19,22-24H,9,13,15,17H2,1-4H3,(H,34,39)(H,35,40)(H,36,42)/t22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061037
(CHEMBL302961 | {(S)-1-[(S)-2-((S)-3-Carbamoyl-3,3-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(N)=O Show InChI InChI=1S/C25H34F2N4O6/c1-14(2)18(20(32)25(26,27)23(28)35)29-21(33)17-11-8-12-31(17)22(34)19(15(3)4)30-24(36)37-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H2,28,35)(H,29,33)(H,30,36)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50031210
(2-((S)-2-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-m...)Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C32H38N4O8/c1-18(2)25(27(37)29-33-22-16-21(31(40)42-5)13-14-24(22)44-29)34-28(38)23-12-9-15-36(23)30(39)26(19(3)4)35-32(41)43-17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,18-19,23,25-26H,9,12,15,17H2,1-5H3,(H,34,38)(H,35,41)/t23-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061035
(2-((S)-3-Methyl-2-{[(S)-1-((S)-3-methyl-2-phenoxyc...)Show SMILES COC(=O)c1ccc2nc(oc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C31H36N4O8/c1-17(2)24(26(36)28-32-21-14-13-19(30(39)41-5)16-23(21)43-28)33-27(37)22-12-9-15-35(22)29(38)25(18(3)4)34-31(40)42-20-10-7-6-8-11-20/h6-8,10-11,13-14,16-18,22,24-25H,9,12,15H2,1-5H3,(H,33,37)(H,34,40)/t22-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061044
(2-((S)-3-Methyl-2-{[(S)-1-((S)-3-methyl-2-phenoxyc...)Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C31H36N4O8/c1-17(2)24(26(36)28-32-21-16-19(30(39)41-5)13-14-23(21)43-28)33-27(37)22-12-9-15-35(22)29(38)25(18(3)4)34-31(40)42-20-10-7-6-8-11-20/h6-8,10-11,13-14,16-18,22,24-25H,9,12,15H2,1-5H3,(H,33,37)(H,34,40)/t22-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061049
(2-[(S)-2-({(S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3...)Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C Show InChI InChI=1S/C32H38N4O8/c1-17(2)25(27(37)30-33-22-16-20(32(41)43-6)11-14-24(22)44-30)34-29(39)23-8-7-15-36(23)31(40)26(18(3)4)35-28(38)19-9-12-21(42-5)13-10-19/h9-14,16-18,23,25-26H,7-8,15H2,1-6H3,(H,34,39)(H,35,38)/t23-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061054
(CHEMBL110125 | CHEMBL66128 | {(S)-1-[(S)-2-((S)-4-...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CN Show InChI InChI=1S/C24H34F2N4O5/c1-14(2)18(20(31)24(25,26)13-27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13,27H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50378083
(Atrovent HFA | IPRATROPIUM BROMIDE)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:10.11.9:6.7,THB:12:10:3:6.7,1:3:10.11.9:6.7,(8.93,-5.03,;7.4,-5.04,;6.62,-3.72,;6.64,-6.39,;5.29,-5.61,;6.91,-7.92,;5.92,-9.27,;7.1,-8.56,;7.69,-7.22,;9.45,-7.19,;9.72,-8.74,;8.74,-7.92,;9.71,-10.27,;11.04,-11.06,;11.03,-12.6,;12.38,-10.29,;13.71,-11.07,;15.04,-10.31,;12.39,-8.75,;13.74,-8,;13.74,-6.46,;12.41,-5.67,;11.07,-6.44,;11.06,-7.98,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
Reactome pathway
KEGG
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| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061036
(CHEMBL304114 | {(S)-1-[(S)-2-((S)-3,3-Difluoro-1-i...)Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C25H34F2N4O6/c1-14(2)18(20(32)25(26,27)23(35)28-5)29-21(33)17-12-9-13-31(17)22(34)19(15(3)4)30-24(36)37-16-10-7-6-8-11-16/h6-8,10-11,14-15,17-19H,9,12-13H2,1-5H3,(H,28,35)(H,29,33)(H,30,36)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50378083
(Atrovent HFA | IPRATROPIUM BROMIDE)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:10.11.9:6.7,THB:12:10:3:6.7,1:3:10.11.9:6.7,(8.93,-5.03,;7.4,-5.04,;6.62,-3.72,;6.64,-6.39,;5.29,-5.61,;6.91,-7.92,;5.92,-9.27,;7.1,-8.56,;7.69,-7.22,;9.45,-7.19,;9.72,-8.74,;8.74,-7.92,;9.71,-10.27,;11.04,-11.06,;11.03,-12.6,;12.38,-10.29,;13.71,-11.07,;15.04,-10.31,;12.39,-8.75,;13.74,-8,;13.74,-6.46,;12.41,-5.67,;11.07,-6.44,;11.06,-7.98,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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PDB
UniChem
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| 1.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061027
(((S)-4-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-met...)Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C30H44F2N4O7/c1-6-7-16-42-28(40)33-18-30(31,32)25(37)23(19(2)3)34-26(38)22-14-11-15-36(22)27(39)24(20(4)5)35-29(41)43-17-21-12-9-8-10-13-21/h8-10,12-13,19-20,22-24H,6-7,11,14-18H2,1-5H3,(H,33,40)(H,34,38)(H,35,41)/t22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50058344
(CHEMBL417935 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C23H30F3N3O5/c1-13(2)17(19(30)23(24,25)26)27-20(31)16-11-8-12-29(16)21(32)18(14(3)4)28-22(33)34-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50378083
(Atrovent HFA | IPRATROPIUM BROMIDE)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:10.11.9:6.7,THB:12:10:3:6.7,1:3:10.11.9:6.7,(8.93,-5.03,;7.4,-5.04,;6.62,-3.72,;6.64,-6.39,;5.29,-5.61,;6.91,-7.92,;5.92,-9.27,;7.1,-8.56,;7.69,-7.22,;9.45,-7.19,;9.72,-8.74,;8.74,-7.92,;9.71,-10.27,;11.04,-11.06,;11.03,-12.6,;12.38,-10.29,;13.71,-11.07,;15.04,-10.31,;12.39,-8.75,;13.74,-8,;13.74,-6.46,;12.41,-5.67,;11.07,-6.44,;11.06,-7.98,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | UniProtKB/SwissProt
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| 1.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061023
(CHEMBL323231 | CHEMBL68577 | {(S)-1-[(S)-2-((S)-4-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1 Show InChI InChI=1S/C32H42F2N4O5/c1-21(2)26(28(39)32(33,34)20-35-18-23-12-7-5-8-13-23)36-29(40)25-16-11-17-38(25)30(41)27(22(3)4)37-31(42)43-19-24-14-9-6-10-15-24/h5-10,12-15,21-22,25-27,35H,11,16-20H2,1-4H3,(H,36,40)(H,37,42)/t25-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061052
(CHEMBL110364 | [(S)-1-((S)-2-{(S)-3,3-Difluoro-1-i...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1 Show InChI InChI=1S/C30H37F2N5O6/c1-18(2)23(25(38)30(31,32)28(41)34-17-20-11-8-9-15-33-20)35-26(39)22-14-10-16-37(22)27(40)24(19(3)4)36-29(42)43-21-12-6-5-7-13-21/h5-9,11-13,15,18-19,22-24H,10,14,16-17H2,1-4H3,(H,34,41)(H,35,39)(H,36,42)/t22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061040
(CHEMBL2370419 | {(S)-2-Methyl-1-[(S)-2-(3,3,3-trif...)Show SMILES CC(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H34F3N3O5/c1-12(2)16(18(29)22(23,24)25)26-19(30)15-10-7-11-28(15)20(31)17(13(3)4)27-21(32)33-14-8-5-6-9-14/h12-17H,5-11H2,1-4H3,(H,26,30)(H,27,32)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061045
(CHEMBL110174 | {(S)-1-[(S)-2-((S)-4-Acetylamino-3,...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(C)=O Show InChI InChI=1S/C26H36F2N4O6/c1-15(2)20(22(34)26(27,28)14-29-17(5)33)30-23(35)19-12-9-13-32(19)24(36)21(16(3)4)31-25(37)38-18-10-7-6-8-11-18/h6-8,10-11,15-16,19-21H,9,12-14H2,1-5H3,(H,29,33)(H,30,35)(H,31,37)/t19-,20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036058
(CHEMBL354883 | benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-14(2)18(20(31)24(25,26)27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061038
(CHEMBL308415 | {(S)-1-[(S)-2-((S)-3,3-Difluoro-1-i...)Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C26H36F2N4O6/c1-15(2)19(21(33)26(27,28)24(36)29-5)30-22(34)18-12-9-13-32(18)23(35)20(16(3)4)31-25(37)38-14-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-20H,9,12-14H2,1-5H3,(H,29,36)(H,30,34)(H,31,37)/t18-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061039
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1 Show InChI InChI=1S/C31H39F2N5O6/c1-18(2)24(26(39)31(32,33)30(43)35-17-21-9-6-7-15-34-21)36-28(41)23-10-8-16-38(23)29(42)25(19(3)4)37-27(40)20-11-13-22(44-5)14-12-20/h6-7,9,11-15,18-19,23-25H,8,10,16-17H2,1-5H3,(H,35,43)(H,36,41)(H,37,40)/t23-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50058391
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1 | PDB
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Reactome pathway
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50058391
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061046
(CHEMBL110400 | [(S)-2,2-Difluoro-4-({(S)-1-[(S)-2-...)Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C Show InChI InChI=1S/C30H44F2N4O7/c1-7-8-16-43-29(41)33-17-30(31,32)25(37)23(18(2)3)34-27(39)22-10-9-15-36(22)28(40)24(19(4)5)35-26(38)20-11-13-21(42-6)14-12-20/h11-14,18-19,22-24H,7-10,15-17H2,1-6H3,(H,33,41)(H,34,39)(H,35,38)/t22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061048
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C Show InChI InChI=1S/C26H36F2N4O6/c1-14(2)19(21(33)26(27,28)25(37)29-5)30-23(35)18-8-7-13-32(18)24(36)20(15(3)4)31-22(34)16-9-11-17(38-6)12-10-16/h9-12,14-15,18-20H,7-8,13H2,1-6H3,(H,29,37)(H,30,35)(H,31,34)/t18-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Rattus norvegicus (rat)) | BDBM14768
((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...)Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cnc4ccccc4n3)c2cc1OC |r| Show InChI InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by... |
J Med Chem 50: 182-5 (2007)
Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2930RDX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061041
(CHEMBL108504 | CHEMBL305259 | {(S)-1-[(S)-2-((S)-4...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1 Show InChI InChI=1S/C31H40F2N4O5/c1-20(2)25(27(38)31(32,33)19-34-18-22-12-7-5-8-13-22)35-28(39)24-16-11-17-37(24)29(40)26(21(3)4)36-30(41)42-23-14-9-6-10-15-23/h5-10,12-15,20-21,24-26,34H,11,16-19H2,1-4H3,(H,35,39)(H,36,41)/t24-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Rattus norvegicus) | BDBM107767
(US11419874, PF-05180999 | US8598155, 2)Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1 Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3 | PDB
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled 4-(azetidin-1-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-1-(tritritiomethyl)pyrazolo[3,4-d]pyrimidine from PD... |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50031199
(((S)-1-{(S)-2-[(S)-1-(Benzooxazole-2-carbonyl)-2-m...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 Show InChI InChI=1S/C30H36N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061029
(CHEMBL321817 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)Show SMILES CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C20H32F3N3O5/c1-10(2)14(16(27)20(21,22)23)24-17(28)13-8-7-9-26(13)18(29)15(11(3)4)25-19(30)31-12(5)6/h10-15H,7-9H2,1-6H3,(H,24,28)(H,25,30)/t13-,14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061042
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)c1ccccc1 Show InChI InChI=1S/C32H40F2N4O6/c1-19(2)25(27(39)32(33,34)18-35-28(40)21-10-7-6-8-11-21)36-30(42)24-12-9-17-38(24)31(43)26(20(3)4)37-29(41)22-13-15-23(44-5)16-14-22/h6-8,10-11,13-16,19-20,24-26H,9,12,17-18H2,1-5H3,(H,35,40)(H,36,42)(H,37,41)/t24-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061033
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2cc(NC(C)=O)ccc2o1 Show InChI InChI=1S/C32H39N5O7/c1-17(2)26(28(39)31-34-23-16-21(33-19(5)38)11-14-25(23)44-31)35-30(41)24-8-7-15-37(24)32(42)27(18(3)4)36-29(40)20-9-12-22(43-6)13-10-20/h9-14,16-18,24,26-27H,7-8,15H2,1-6H3,(H,33,38)(H,35,41)(H,36,40)/t24-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061025
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES CCCNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C Show InChI InChI=1S/C28H40F2N4O6/c1-7-14-31-27(39)28(29,30)23(35)21(16(2)3)32-25(37)20-9-8-15-34(20)26(38)22(17(4)5)33-24(36)18-10-12-19(40-6)13-11-18/h10-13,16-17,20-22H,7-9,14-15H2,1-6H3,(H,31,39)(H,32,37)(H,33,36)/t20-,21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Rattus norvegicus (rat)) | BDBM14766
((R)-6,7-Dimethoxy-4-[3-(quinolin-7-yloxy)-pyrrolid...)Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4cccnc4c3)c2cc1OC |r| Show InChI InChI=1S/C23H22N4O3/c1-28-21-11-18-20(12-22(21)29-2)25-14-26-23(18)27-9-7-17(13-27)30-16-6-5-15-4-3-8-24-19(15)10-16/h3-6,8,10-12,14,17H,7,9,13H2,1-2H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| 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 |
Pfizer
| Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by... |
J Med Chem 50: 182-5 (2007)
Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2930RDX |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Rattus norvegicus (rat)) | BDBM14760
((R)-6,7-Dimethoxy-4-[3-(naphthalen-2-yloxy)-pyrrol...)Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4ccccc4c3)c2cc1OC |r| Show InChI InChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by... |
J Med Chem 50: 182-5 (2007)
Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2930RDX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Rattus norvegicus (rat)) | BDBM14764
((R)-6,7-Dimethoxy-4-[3-(quinolin-6-yloxy)-pyrrolid...)Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4ncccc4c3)c2cc1OC |r| Show InChI InChI=1S/C23H22N4O3/c1-28-21-11-18-20(12-22(21)29-2)25-14-26-23(18)27-9-7-17(13-27)30-16-5-6-19-15(10-16)4-3-8-24-19/h3-6,8,10-12,14,17H,7,9,13H2,1-2H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| 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 |
Pfizer
| Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by... |
J Med Chem 50: 182-5 (2007)
Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2930RDX |
More data for this
Ligand-Target Pair | |
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