Found 116 hits with Last Name = 'dowle' and Initial = 'md' 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)) | BDBM50118030
(4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H27N5O4S/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12/h9-12,15-17,20H,4-8H2,1-3H3/t15-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE) |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469937
(CHEMBL104493)Show SMILES CCc1nc(C2CC2)c(C(=O)NCC(C)C)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C29H30BrF3N4O4S/c1-4-23-35-25(18-10-11-18)26(28(38)34-14-16(2)3)37(23)15-17-9-12-22-20(13-17)24(30)27(41-22)19-7-5-6-8-21(19)36-42(39,40)29(31,32)33/h5-9,12-13,16,18,36H,4,10-11,14-15H2,1-3H3,(H,34,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118028
(3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.160 | n/a | n/a | n/a | n/a | 4.90 | 3.05E+4 | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118028
(3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE) |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118029
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)Show SMILES Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r| Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE) |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118029
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)Show SMILES Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r| Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.310 | n/a | n/a | n/a | n/a | 0.00000207 | 6.63E+3 | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469896
(CHEMBL326910)Show SMILES CCCc1nc(C)c(C(=O)NCC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C26H26BrF3N4O4S/c1-4-8-21-32-15(3)23(25(35)31-5-2)34(21)14-16-11-12-20-18(13-16)22(27)24(38-20)17-9-6-7-10-19(17)33-39(36,37)26(28,29)30/h6-7,9-13,33H,4-5,8,14H2,1-3H3,(H,31,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469939
(CHEMBL323125)Show SMILES CCNC(=O)c1c(nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1-c1nn[nH]n1)C1CC1 Show InChI InChI=1S/C27H26BrN7O2/c1-3-21-30-23(16-10-11-16)24(27(36)29-4-2)35(21)14-15-9-12-20-19(13-15)22(28)25(37-20)17-7-5-6-8-18(17)26-31-33-34-32-26/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H,29,36)(H,31,32,33,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469890
(CHEMBL63072)Show SMILES CCc1nc(C2CC2)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C26H24BrF3N4O4S/c1-3-20-32-22(15-9-10-15)23(25(35)31-2)34(20)13-14-8-11-19-17(12-14)21(27)24(38-19)16-6-4-5-7-18(16)33-39(36,37)26(28,29)30/h4-8,11-12,15,33H,3,9-10,13H2,1-2H3,(H,31,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469901
(GR-138950 | SAPRISARTAN)Show SMILES CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469888
(CHEMBL104667)Show SMILES CCNC(=O)c1c(nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F)C1CC1 Show InChI InChI=1S/C27H26BrF3N4O4S/c1-3-21-33-23(16-10-11-16)24(26(36)32-4-2)35(21)14-15-9-12-20-18(13-15)22(28)25(39-20)17-7-5-6-8-19(17)34-40(37,38)27(29,30)31/h5-9,12-13,16,34H,3-4,10-11,14H2,1-2H3,(H,32,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469892
(CHEMBL107081)Show SMILES CCCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C24H22BrF3N4O4S/c1-3-6-19-30-13(2)21(23(29)33)32(19)12-14-9-10-18-16(11-14)20(25)22(36-18)15-7-4-5-8-17(15)31-37(34,35)24(26,27)28/h4-5,7-11,31H,3,6,12H2,1-2H3,(H2,29,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469886
(CHEMBL107006)Show SMILES CCc1nc(CC)n(Cc2ccc3oc(c(Br)c3c2)-c2ccccc2NS(=O)(=O)C(F)(F)F)c1C(N)=O Show InChI InChI=1S/C24H22BrF3N4O4S/c1-3-16-21(23(29)33)32(19(4-2)30-16)12-13-9-10-18-15(11-13)20(25)22(36-18)14-7-5-6-8-17(14)31-37(34,35)24(26,27)28/h5-11,31H,3-4,12H2,1-2H3,(H2,29,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469893
(CHEMBL104418)Show SMILES CCCc1nc(Cl)c(C(=O)NCC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C25H23BrClF3N4O4S/c1-3-7-19-32-23(27)21(24(35)31-4-2)34(19)13-14-10-11-18-16(12-14)20(26)22(38-18)15-8-5-6-9-17(15)33-39(36,37)25(28,29)30/h5-6,8-12,33H,3-4,7,13H2,1-2H3,(H,31,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469897
(CHEMBL104281)Show SMILES CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(c2c1)C(F)(F)F)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C26H22F6N4O4S/c1-2-19-34-21(14-8-9-14)22(24(33)37)36(19)12-13-7-10-18-16(11-13)20(25(27,28)29)23(40-18)15-5-3-4-6-17(15)35-41(38,39)26(30,31)32/h3-7,10-11,14,35H,2,8-9,12H2,1H3,(H2,33,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469940
(CHEMBL105887)Show SMILES CCCc1nc(C)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C25H24BrF3N4O4S/c1-4-7-20-31-14(2)22(24(34)30-3)33(20)13-15-10-11-19-17(12-15)21(26)23(37-19)16-8-5-6-9-18(16)32-38(35,36)25(27,28)29/h5-6,8-12,32H,4,7,13H2,1-3H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469938
(CHEMBL322989)Show SMILES CCCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C24H21BrClF3N4O4S/c1-3-6-18-31-22(26)20(23(34)30-2)33(18)12-13-9-10-17-15(11-13)19(25)21(37-17)14-7-4-5-8-16(14)32-38(35,36)24(27,28)29/h4-5,7-11,32H,3,6,12H2,1-2H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469934
(CHEMBL324196)Show SMILES CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(Cl)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C25H22ClF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469935
(CHEMBL62909)Show SMILES CCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C23H20BrF3N4O4S/c1-3-18-29-12(2)20(22(28)32)31(18)11-13-8-9-17-15(10-13)19(24)21(35-17)14-6-4-5-7-16(14)30-36(33,34)23(25,26)27/h4-10,30H,3,11H2,1-2H3,(H2,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469889
(CHEMBL62553)Show SMILES CCNC(=O)c1c(C)nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C25H24BrF3N4O4S/c1-4-20-31-14(3)22(24(34)30-5-2)33(20)13-15-10-11-19-17(12-15)21(26)23(37-19)16-8-6-7-9-18(16)32-38(35,36)25(27,28)29/h6-12,32H,4-5,13H2,1-3H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469887
(CHEMBL107043)Show SMILES CCCCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C25H23BrClF3N4O4S/c1-3-4-9-19-32-23(27)21(24(35)31-2)34(19)13-14-10-11-18-16(12-14)20(26)22(38-18)15-7-5-6-8-17(15)33-39(36,37)25(28,29)30/h5-8,10-12,33H,3-4,9,13H2,1-2H3,(H,31,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469899
(CHEMBL107967)Show SMILES CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(c(CC)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C27H27F3N4O4S/c1-3-17-19-13-15(14-34-22(4-2)32-23(16-10-11-16)24(34)26(31)35)9-12-21(19)38-25(17)18-7-5-6-8-20(18)33-39(36,37)27(28,29)30/h5-9,12-13,16,33H,3-4,10-11,14H2,1-2H3,(H2,31,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118027
(4-[1-(2,2-Dimethyl-propyl)-azetidine-3-carbonyl]-3...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C2CN(CC(C)(C)C)C2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H33N3O4S/c1-12(2)15-16-14(22(18(15)24)27(6,25)26)7-8-21(16)17(23)13-9-20(10-13)11-19(3,4)5/h12-16H,7-11H2,1-6H3/t14-,15+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE) |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118027
(4-[1-(2,2-Dimethyl-propyl)-azetidine-3-carbonyl]-3...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C2CN(CC(C)(C)C)C2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H33N3O4S/c1-12(2)15-16-14(22(18(15)24)27(6,25)26)7-8-21(16)17(23)13-9-20(10-13)11-19(3,4)5/h12-16H,7-11H2,1-6H3/t14-,15+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.73 | n/a | n/a | n/a | n/a | 0.0000109 | 6.31E+3 | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469891
(CHEMBL322516)Show SMILES CCCc1nc(Cl)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C23H19BrClF3N4O4S/c1-2-5-17-30-21(25)19(22(29)33)32(17)11-12-8-9-16-14(10-12)18(24)20(36-16)13-6-3-4-7-15(13)31-37(34,35)23(26,27)28/h3-4,6-10,31H,2,5,11H2,1H3,(H2,29,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469900
(CHEMBL104252)Show SMILES CCNC(=O)c1c(Cl)nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C24H21BrClF3N4O4S/c1-3-18-31-22(26)20(23(34)30-4-2)33(18)12-13-9-10-17-15(11-13)19(25)21(37-17)14-7-5-6-8-16(14)32-38(35,36)24(27,28)29/h5-11,32H,3-4,12H2,1-2H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469933
(CHEMBL323378)Show SMILES CCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C23H19BrClF3N4O4S/c1-3-17-30-21(25)19(22(33)29-2)32(17)11-12-8-9-16-14(10-12)18(24)20(36-16)13-6-4-5-7-15(13)31-37(34,35)23(26,27)28/h4-10,31H,3,11H2,1-2H3,(H,29,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469894
(CHEMBL323315)Show SMILES CCNC(=O)c1c(nc(CC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1C(O)=O)C1CC1 Show InChI InChI=1S/C27H26BrN3O4/c1-3-21-30-23(16-10-11-16)24(26(32)29-4-2)31(21)14-15-9-12-20-19(13-15)22(28)25(35-20)17-7-5-6-8-18(17)27(33)34/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H,29,32)(H,33,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469884
(CHEMBL293447)Show SMILES CCc1nc(C)c(C(=O)N(C)C)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C25H24BrF3N4O4S/c1-5-20-30-14(2)22(24(34)32(3)4)33(20)13-15-10-11-19-17(12-15)21(26)23(37-19)16-8-6-7-9-18(16)31-38(35,36)25(27,28)29/h6-12,31H,5,13H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469895
(CHEMBL104626)Show SMILES CCc1nc(Cl)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C22H17BrClF3N4O4S/c1-2-16-29-20(24)18(21(28)32)31(16)10-11-7-8-15-13(9-11)17(23)19(35-15)12-5-3-4-6-14(12)30-36(33,34)22(25,26)27/h3-9,30H,2,10H2,1H3,(H2,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469941
(CHEMBL292040)Show SMILES CCc1nc(C)c(C(=O)NC)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C24H22BrF3N4O4S/c1-4-19-30-13(2)21(23(33)29-3)32(19)12-14-9-10-18-16(11-14)20(25)22(36-18)15-7-5-6-8-17(15)31-37(34,35)24(26,27)28/h5-11,31H,4,12H2,1-3H3,(H,29,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469936
(CHEMBL108115)Show SMILES CCc1nc(C(C)C)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C25H24BrF3N4O4S/c1-4-19-31-21(13(2)3)22(24(30)34)33(19)12-14-9-10-18-16(11-14)20(26)23(37-18)15-7-5-6-8-17(15)32-38(35,36)25(27,28)29/h5-11,13,32H,4,12H2,1-3H3,(H2,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469902
(CHEMBL320326)Show SMILES CCc1nc(CC(C)C)c(C(N)=O)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C26H26BrF3N4O4S/c1-4-21-32-19(11-14(2)3)23(25(31)35)34(21)13-15-9-10-20-17(12-15)22(27)24(38-20)16-7-5-6-8-18(16)33-39(36,37)26(28,29)30/h5-10,12,14,33H,4,11,13H2,1-3H3,(H2,31,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM82258
(CAS_114798-26-4 | Losartan | NSC_3961)Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469885
(CHEMBL418811)Show SMILES CNC(=O)c1c(C)nc(C)n1Cc1ccc2oc(c(Br)c2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C23H20BrF3N4O4S/c1-12-20(22(32)28-3)31(13(2)29-12)11-14-8-9-18-16(10-14)19(24)21(35-18)15-6-4-5-7-17(15)30-36(33,34)23(25,26)27/h4-10,30H,11H2,1-3H3,(H,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50469898
(CHEMBL322828)Show SMILES CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(cc2c1)-c1ccccc1NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O4S/c1-2-21-30-22(15-8-9-15)23(24(29)33)32(21)13-14-7-10-19-16(11-14)12-20(36-19)17-5-3-4-6-18(17)31-37(34,35)25(26,27)28/h3-7,10-12,15,31H,2,8-9,13H2,1H3,(H2,29,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Ltd.
Curated by ChEMBL
| Assay Description
Tested for in vitro binding affinity against angiotensin II receptor of rat liver |
J Med Chem 37: 3108-20 (1994)
Article DOI: 10.1021/jm00045a016
BindingDB Entry DOI: 10.7270/Q21R6T7V |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50096484
((4S,6R)-6-Allyl-4-(naphthalene-2-sulfonyl)-5-oxo-h...)Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H26N2O5S/c1-2-8-23-25-24(15-16-28(25)27(31)34-18-19-9-4-3-5-10-19)29(26(23)30)35(32,33)22-14-13-20-11-6-7-12-21(20)17-22/h2-7,9-14,17,23-25H,1,8,15-16,18H2/t23-,24+,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) |
Bioorg Med Chem Lett 11: 243-6 (2001)
BindingDB Entry DOI: 10.7270/Q2K074SH |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50066997
((3aS,6R)-6-Allyl-4-methanesulfonyl-5-oxo-hexahydro...)Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2S(C)(=O)=O Show InChI InChI=1S/C18H22N2O5S/c1-3-7-14-16-15(20(17(14)21)26(2,23)24)10-11-19(16)18(22)25-12-13-8-5-4-6-9-13/h3-6,8-9,14-16H,1,7,10-12H2,2H3/t14-,15+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.0470 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) |
Bioorg Med Chem Lett 11: 243-6 (2001)
BindingDB Entry DOI: 10.7270/Q2K074SH |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50066999
((S)-3,3-Diethyl-2-[4-(4-methyl-piperazine-1-carbon...)Show SMILES CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity in human whole blood (HWB) elastase at a concentration of 10 |
Bioorg Med Chem Lett 11: 243-6 (2001)
BindingDB Entry DOI: 10.7270/Q2K074SH |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50096486
(CHEMBL2367646 | benzyl (3aS,6aR)-4-acetyl-6-allyl-...)Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2C(C)=O Show InChI InChI=1S/C19H22N2O4/c1-3-7-15-17-16(21(13(2)22)18(15)23)10-11-20(17)19(24)25-12-14-8-5-4-6-9-14/h3-6,8-9,15-17H,1,7,10-12H2,2H3/t15-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) |
Bioorg Med Chem Lett 11: 243-6 (2001)
BindingDB Entry DOI: 10.7270/Q2K074SH |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50096488
((1S,3R)-1-(Naphthalene-2-sulfonyl)-4-(3-piperidin-...)Show SMILES Cl.[H][C@]12CCN(C(=O)CCN3CCCCC3)[C@]1([H])[C@@H](CCC)C(=O)N2S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H35N3O4S.ClH/c1-2-8-23-26-24(13-18-29(26)25(31)14-17-28-15-6-3-7-16-28)30(27(23)32)35(33,34)22-12-11-20-9-4-5-10-21(20)19-22;/h4-5,9-12,19,23-24,26H,2-3,6-8,13-18H2,1H3;1H/t23-,24+,26-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity for dopamine D4-like receptor labelled with [3H]YM-09151-2 in retina |
Bioorg Med Chem Lett 11: 243-6 (2001)
BindingDB Entry DOI: 10.7270/Q2K074SH |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50096488
((1S,3R)-1-(Naphthalene-2-sulfonyl)-4-(3-piperidin-...)Show SMILES Cl.[H][C@]12CCN(C(=O)CCN3CCCCC3)[C@]1([H])[C@@H](CCC)C(=O)N2S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H35N3O4S.ClH/c1-2-8-23-26-24(13-18-29(26)25(31)14-17-28-15-6-3-7-16-28)30(27(23)32)35(33,34)22-12-11-20-9-4-5-10-21(20)19-22;/h4-5,9-12,19,23-24,26H,2-3,6-8,13-18H2,1H3;1H/t23-,24+,26-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) |
Bioorg Med Chem Lett 11: 243-6 (2001)
BindingDB Entry DOI: 10.7270/Q2K074SH |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50096487
((3R,6aS)-3-Allyl-2-oxo-hexahydro-pyrrolo[3,2-b]pyr...)Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2C(=O)OCC Show InChI InChI=1S/C20H24N2O5/c1-3-8-15-17-16(22(18(15)23)20(25)26-4-2)11-12-21(17)19(24)27-13-14-9-6-5-7-10-14/h3,5-7,9-10,15-17H,1,4,8,11-13H2,2H3/t15-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) |
Bioorg Med Chem Lett 11: 243-6 (2001)
BindingDB Entry DOI: 10.7270/Q2K074SH |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50096483
((3R,6aS)-1-Methanesulfonyl-4-(3-piperidin-1-yl-pro...)Show SMILES Cl.[H][C@]12CCN(C(=O)CCN3CCCCC3)[C@]1([H])[C@@H](CCC)C(=O)N2S(C)(=O)=O |r| Show InChI InChI=1S/C18H31N3O4S.ClH/c1-3-7-14-17-15(21(18(14)23)26(2,24)25)8-13-20(17)16(22)9-12-19-10-5-4-6-11-19;/h14-15,17H,3-13H2,1-2H3;1H/t14-,15+,17-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity in human whole blood (HWB) elastase at a concentration of 10 uM |
Bioorg Med Chem Lett 11: 243-6 (2001)
BindingDB Entry DOI: 10.7270/Q2K074SH |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061024
((2-Methyl-1-{(S)-oxo-[(S)-2-((S)-3,3,3-trifluoro-1...)Show SMILES COC(=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/C18H28F3N3O5/c1-9(2)12(14(25)18(19,20)21)22-15(26)11-7-6-8-24(11)16(27)13(10(3)4)23-17(28)29-5/h9-13H,6-8H2,1-5H3,(H,22,26)(H,23,28)/t11-,12-,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity in human whole blood (HWB) elastase |
Bioorg Med Chem Lett 11: 243-6 (2001)
BindingDB Entry DOI: 10.7270/Q2K074SH |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118028
(3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118030
(4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H27N5O4S/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12/h9-12,15-17,20H,4-8H2,1-3H3/t15-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118029
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)Show SMILES Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r| Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against dog neutrophil elastase using whole blood assay |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50098095
((3S,3aR,6aS)-3-Isopropyl-1-methanesulfonyl-5-((E)-...)Show SMILES CC(C)[C@H]1[C@@H]2CN(C[C@H]2N(C1=O)S(C)(=O)=O)C(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C19H31N3O4S/c1-14(2)18-15-12-21(13-16(15)22(19(18)24)27(3,25)26)17(23)8-7-11-20-9-5-4-6-10-20/h7-8,14-16,18H,4-6,9-13H2,1-3H3/b8-7+/t15-,16-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Elastase |
Bioorg Med Chem Lett 11: 895-8 (2001)
BindingDB Entry DOI: 10.7270/Q29C6XZ6 |
More data for this
Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50118029
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)Show SMILES Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r| Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against Chymotrypsinogen using selectivity assay |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
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