new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1809 hits with Last Name = 'gordon' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036480
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O7S/c1-15(2)16-4-3-5-19-20(16)23(29)28(36(19,31)32)14-35-24(30)21-17(25)6-7-18(22(21)26)34-13-10-27-8-11-33-12-9-27/h3-7,15H,8-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.00800n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039637
PNG
(2,6-Dichloro-3-[(2-dimethylamino-ethyl)-methyl-sul...)
Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O
Show InChI InChI=1S/C24H28Cl2N2O7S2/c1-14(2)15-7-6-8-17-20(15)23(29)19(36(17,31)32)13-35-24(30)21-16(25)9-10-18(22(21)26)37(33,34)28(5)12-11-27(3)4/h6-10,14,19H,11-13H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0100n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition constant of human leukocyte elastase.


J Med Chem 37: 2623-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039635
PNG
(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)
Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCN(C)CC1)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O7S2/c1-14(2)15-5-4-6-17-20(15)23(29)19(36(17,31)32)13-35-24(30)21-16(25)7-8-18(22(21)26)37(33,34)28-11-9-27(3)10-12-28/h4-8,14,19H,9-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0100n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition constant of human leukocyte elastase.


J Med Chem 37: 2623-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039646
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C25H27Cl2NO7S/c1-15(2)16-4-3-5-19-21(16)24(29)20(36(19,31)32)14-35-25(30)22-17(26)6-7-18(23(22)27)34-13-10-28-8-11-33-12-9-28/h3-7,15,20H,8-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0100n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition constant of human leukocyte elastase.


J Med Chem 37: 2623-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036478
PNG
(3-Carboxymethoxy-2,6-dichloro-benzoic acid 4-isopr...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCC(O)=O)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C21H19Cl2NO9S/c1-10(2)12-6-11(31-3)7-15-17(12)20(27)24(34(15,29)30)9-33-21(28)18-13(22)4-5-14(19(18)23)32-8-16(25)26/h4-7,10H,8-9H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0110n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036476
PNG
(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCN(C)CC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H27Cl2N3O8S2/c1-14(2)16-11-15(36-4)12-19-20(16)23(30)29(39(19,34)35)13-37-24(31)21-17(25)5-6-18(22(21)26)38(32,33)28-9-7-27(3)8-10-28/h5-6,11-12,14H,7-10,13H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0110n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036477
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H28Cl2N2O8S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(38(20,32)33)14-37-25(31)22-18(26)4-5-19(23(22)27)36-11-8-28-6-9-35-10-7-28/h4-5,12-13,15H,6-11,14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0130n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036481
PNG
(2,6-Dichloro-3-[(2-dimethylamino-ethyl)-methyl-sul...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H29Cl2N3O8S2/c1-14(2)16-11-15(36-6)12-19-20(16)23(30)29(39(19,34)35)13-37-24(31)21-17(25)7-8-18(22(21)26)38(32,33)28(5)10-9-27(3)4/h7-8,11-12,14H,9-10,13H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0130n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036475
PNG
(2,6-Dichloro-3-(2-pyrrolidin-1-yl-ethoxy)-benzoic ...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H28Cl2N2O7S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(37(20,32)33)14-36-25(31)22-18(26)6-7-19(23(22)27)35-11-10-28-8-4-5-9-28/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0140n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285289
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O9S/c1-3-35-18-12-15(33-2)13-19-21(18)23(29)28(38(19,31)32)14-37-24(30)20-16(25)4-5-17(22(20)26)36-11-8-27-6-9-34-10-7-27/h4-5,12-13H,3,6-11,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.0220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029699
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H17Cl2NO6S/c1-10(2)12-7-11(27-3)8-15-16(12)18(23)22(29(15,25)26)9-28-19(24)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.0230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039631
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0300n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition constant of human leukocyte elastase.


J Med Chem 37: 2623-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039631
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.0300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286326
PNG
(2,6-Dichloro-benzoic acid 6-fluoro-4-isopropyl-1,1...)
Show SMILES CC(C)c1cc(F)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H14Cl2FNO5S/c1-9(2)11-6-10(21)7-14-15(11)17(23)22(28(14,25)26)8-27-18(24)16-12(19)4-3-5-13(16)20/h3-7,9H,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.0300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50034671
PNG
(CHEMBL41327 | Phosphoric acid diethyl ester 4-isop...)
Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cc(OC)cc2C(C)C)S1(=O)=O
Show InChI InChI=1S/C16H24NO8PS/c1-6-23-26(19,24-7-2)25-10-17-16(18)15-13(11(3)4)8-12(22-5)9-14(15)27(17,20)21/h8-9,11H,6-7,10H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0350n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Human leukocyte elastase


J Med Chem 38: 1571-4 (1995)


BindingDB Entry DOI: 10.7270/Q2M32TS7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285280
PNG
(2,6-Dichloro-benzoic acid 4-ethoxy-6-methoxy-1,1,3...)
Show SMILES CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO7S/c1-3-27-13-7-10(26-2)8-14-16(13)17(22)21(29(14,24)25)9-28-18(23)15-11(19)5-4-6-12(15)20/h4-8H,3,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.0490n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039641
PNG
(2,6-Dichloro-benzoic acid 4-sec-butyl-1,1,3-trioxo...)
Show SMILES CCC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C19H17Cl2NO5S/c1-3-11(2)12-6-4-9-15-16(12)18(23)22(28(15,25)26)10-27-19(24)17-13(20)7-5-8-14(17)21/h4-9,11H,3,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0600n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition constant of human leukocyte elastase.


J Med Chem 37: 2623-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50034676
PNG
(CHEMBL41881 | Phosphoric acid 4-sec-butyl-1,1,3-tr...)
Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cccc2C(C)CC)S1(=O)=O
Show InChI InChI=1S/C16H24NO7PS/c1-5-12(4)13-9-8-10-14-15(13)16(18)17(26(14,20)21)11-24-25(19,22-6-2)23-7-3/h8-10,12H,5-7,11H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0700n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Human leukocyte elastase


J Med Chem 38: 1571-4 (1995)


BindingDB Entry DOI: 10.7270/Q2M32TS7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285286
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CCOc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(OCC)c1
Show InChI InChI=1S/C25H28Cl2N2O9S/c1-3-35-16-13-19(36-4-2)22-20(14-16)39(32,33)29(24(22)30)15-38-25(31)21-17(26)5-6-18(23(21)27)37-12-9-28-7-10-34-11-8-28/h5-6,13-14H,3-4,7-12,15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.0700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285283
PNG
(2,6-Dichloro-benzoic acid 4,6-dimethoxy-1,1,3-trio...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(OC)c1
Show InChI InChI=1S/C17H13Cl2NO7S/c1-25-9-6-12(26-2)15-13(7-9)28(23,24)20(16(15)21)8-27-17(22)14-10(18)4-3-5-11(14)19/h3-7H,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.0800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285284
PNG
(2,6-Dichloro-benzoic acid 4,6-diethoxy-1,1,3-triox...)
Show SMILES CCOc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(OCC)c1
Show InChI InChI=1S/C19H17Cl2NO7S/c1-3-27-11-8-14(28-4-2)17-15(9-11)30(25,26)22(18(17)23)10-29-19(24)16-12(20)6-5-7-13(16)21/h5-9H,3-4,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.0800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50034677
PNG
(CHEMBL288810 | Phosphoric acid diethyl ester 4-iso...)
Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cccc2C(C)C)S1(=O)=O
Show InChI InChI=1S/C15H22NO7PS/c1-5-21-24(18,22-6-2)23-10-16-15(17)14-12(11(3)4)8-7-9-13(14)25(16,19)20/h7-9,11H,5-6,10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.100n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Human leukocyte elastase


J Med Chem 38: 1571-4 (1995)


BindingDB Entry DOI: 10.7270/Q2M32TS7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285287
PNG
(2,6-Dichloro-3-(2-pyrrolidin-1-yl-ethoxy)-benzoic ...)
Show SMILES CCOc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCCC4)c3Cl)S2(=O)=O)c(OCC)c1
Show InChI InChI=1S/C25H28Cl2N2O8S/c1-3-34-16-13-19(35-4-2)22-20(14-16)38(32,33)29(24(22)30)15-37-25(31)21-17(26)7-8-18(23(21)27)36-12-11-28-9-5-6-10-28/h7-8,13-14H,3-6,9-12,15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039642
PNG
(2,6-Dichloro-benzoic acid 4-ethyl-1,1,3-trioxo-1,3...)
Show SMILES CCc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C17H13Cl2NO5S/c1-2-10-5-3-8-13-14(10)16(21)20(26(13,23)24)9-25-17(22)15-11(18)6-4-7-12(15)19/h3-8H,2,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.170n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition constant of human leukocyte elastase.


J Med Chem 37: 2623-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285290
PNG
(2,6-Dichloro-benzoic acid 4-ethoxy-1,1,3-trioxo-1,...)
Show SMILES CCOc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C17H13Cl2NO6S/c1-2-25-12-7-4-8-13-15(12)16(21)20(27(13,23)24)9-26-17(22)14-10(18)5-3-6-11(14)19/h3-8H,2,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286333
PNG
(5,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES CCCc1c2C(=O)N(CSc3nnnn3-c3ccccc3)S(=O)(=O)c2cc(OC)c1OC
Show InChI InChI=1S/C20H21N5O5S2/c1-4-8-14-17-16(11-15(29-2)18(14)30-3)32(27,28)24(19(17)26)12-31-20-21-22-23-25(20)13-9-6-5-7-10-13/h5-7,9-11H,4,8,12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036482
PNG
(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)
Show SMILES CC(C)c1cc(O)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCN(C)CC1)S2(=O)=O
Show InChI InChI=1S/C23H25Cl2N3O8S2/c1-13(2)15-10-14(29)11-18-19(15)22(30)28(38(18,34)35)12-36-23(31)20-16(24)4-5-17(21(20)25)37(32,33)27-8-6-26(3)7-9-27/h4-5,10-11,13,29H,6-9,12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.200n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285282
PNG
(2,6-Dichloro-benzoic acid 4-isopropoxy-1,1,3-triox...)
Show SMILES CC(C)Oc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO6S/c1-10(2)27-13-7-4-8-14-16(13)17(22)21(28(14,24)25)9-26-18(23)15-11(19)5-3-6-12(15)20/h3-8,10H,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029703
PNG
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...)
Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282874
PNG
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)
Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285285
PNG
(2,6-Dichloro-benzoic acid 6-methoxy-1,1,3-trioxo-4...)
Show SMILES CCCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C19H17Cl2NO7S/c1-3-7-28-14-8-11(27-2)9-15-17(14)18(23)22(30(15,25)26)10-29-19(24)16-12(20)5-4-6-13(16)21/h4-6,8-9H,3,7,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.340n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005147
PNG
((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r|
Show InChI InChI=1S/C30H34BrF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23-,24?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase (HLE); Kreact/Kinact


Bioorg Med Chem Lett 5: 319-324 (1995)


Article DOI: 10.1016/0960-894X(95)00028-R
BindingDB Entry DOI: 10.7270/Q22F7NDM
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285288
PNG
(2,6-Dichloro-benzoic acid 6-methoxy-1,1,3-trioxo-1...)
Show SMILES COc1ccc2C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S(=O)(=O)c2c1
Show InChI InChI=1S/C16H11Cl2NO6S/c1-24-9-5-6-10-13(7-9)26(22,23)19(15(10)20)8-25-16(21)14-11(17)3-2-4-12(14)18/h2-7H,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286327
PNG
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282873
PNG
(4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)
Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193920
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C31H25NO4S2/c33-30(32-38(34,35)31-11-6-18-37-31)17-15-25-9-4-5-10-26(25)19-24-12-13-28-21-29(16-14-27(28)20-24)36-22-23-7-2-1-3-8-23/h1-18,20-21H,19,22H2,(H,32,33)/b17-15+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193935
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C34H28BrNO5S/c1-40-32-17-15-30(35)22-33(32)42(38,39)36-34(37)18-14-26-9-5-6-10-27(26)19-25-11-12-29-21-31(16-13-28(29)20-25)41-23-24-7-3-2-4-8-24/h2-18,20-22H,19,23H2,1H3,(H,36,37)/b18-14+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor in presence of HSA


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282868
PNG
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)
Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286305
PNG
(2-[2-Chloro-4-(morpholine-4-sulfonyl)-phenoxymethy...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COc1ccc(cc1Cl)S(=O)(=O)N1CCOCC1)S2(=O)=O
Show InChI InChI=1S/C21H23ClN2O7S2/c1-14(2)16-4-3-5-19-20(16)21(25)24(33(19,28)29)13-31-18-7-6-15(12-17(18)22)32(26,27)23-8-10-30-11-9-23/h3-7,12,14H,8-11,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase (HLE); Kreact/Kinact


Bioorg Med Chem Lett 5: 319-324 (1995)


Article DOI: 10.1016/0960-894X(95)00028-R
BindingDB Entry DOI: 10.7270/Q22F7NDM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193935
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C34H28BrNO5S/c1-40-32-17-15-30(35)22-33(32)42(38,39)36-34(37)18-14-26-9-5-6-10-27(26)19-25-11-12-29-21-31(16-13-28(29)20-25)41-23-24-7-3-2-4-8-24/h2-18,20-22H,19,23H2,1H3,(H,36,37)/b18-14+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039634
PNG
(2,6-Dichloro-benzoic acid 1,1,3-trioxo-4-phenyl-1,...)
Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)c2c(cccc2-c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C21H13Cl2NO5S/c22-15-9-5-10-16(23)19(15)21(26)29-12-24-20(25)18-14(13-6-2-1-3-7-13)8-4-11-17(18)30(24,27)28/h1-11H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition constant of human leukocyte elastase.


J Med Chem 37: 2623-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286329
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-6-(4-methyl-...)
Show SMILES CC(C)c1cc(cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H25Cl2N3O5S/c1-14(2)16-11-15(27-9-7-26(3)8-10-27)12-19-20(16)22(29)28(34(19,31)32)13-33-23(30)21-17(24)5-4-6-18(21)25/h4-6,11-12,14H,7-10,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50285281
PNG
(2,6-Dichloro-benzoic acid 4,5-dimethoxy-1,1,3-trio...)
Show SMILES COc1ccc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c1OC
Show InChI InChI=1S/C17H13Cl2NO7S/c1-25-11-6-7-12-14(15(11)26-2)16(21)20(28(12,23)24)8-27-17(22)13-9(18)4-3-5-10(13)19/h3-7H,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193921
PNG
(3-(2-(naphthalen-2-ylmethyl)phenyl)-N-(thiophen-2-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C24H19NO3S2/c26-23(25-30(27,28)24-10-5-15-29-24)14-13-20-7-2-4-9-22(20)17-18-11-12-19-6-1-3-8-21(19)16-18/h1-16H,17H2,(H,25,26)/b14-13+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286307
PNG
(2,6-Dichloro-4-(4-isopropyl-1,1,3-trioxo-1,3-dihyd...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COc1cc(Cl)c(C(=O)OCCN3CCOCC3)c(Cl)c1)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O7S/c1-15(2)17-4-3-5-20-21(17)23(29)28(36(20,31)32)14-35-16-12-18(25)22(19(26)13-16)24(30)34-11-8-27-6-9-33-10-7-27/h3-5,12-13,15H,6-11,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase (HLE); Kreact/Kinact


Bioorg Med Chem Lett 5: 319-324 (1995)


Article DOI: 10.1016/0960-894X(95)00028-R
BindingDB Entry DOI: 10.7270/Q22F7NDM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the M2 receptor subtypes


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193938
PNG
(3-(2-(4-(benzyloxy)-3-methoxycinnamyl)phenyl)-N-(t...)
Show SMILES COc1cc(\C=C\Cc2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27NO5S2/c1-35-28-21-23(16-18-27(28)36-22-24-9-3-2-4-10-24)11-7-14-25-12-5-6-13-26(25)17-19-29(32)31-38(33,34)30-15-8-20-37-30/h2-13,15-21H,14,22H2,1H3,(H,31,32)/b11-7+,19-17+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193918
PNG
(3-(2-((E)-3-(4-(benzyloxy)-3-methoxyphenyl)prop-1-...)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27NO5S2/c1-35-28-21-23(16-18-27(28)36-22-24-9-3-2-4-10-24)11-7-14-25-12-5-6-13-26(25)17-19-29(32)31-38(33,34)30-15-8-20-37-30/h2-10,12-21H,11,22H2,1H3,(H,31,32)/b14-7+,19-17+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1809 total )  |  Next  |  Last  >>
Jump to: