Found 40 hits of Enzyme Inhibition Constant Data 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 |
|---|
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50068217
(CHEMBL3403316)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C38H56N6O7/c1-8-43(9-2)37(49)31(21-26-16-17-27-13-10-11-14-28(27)20-26)41-35(47)30(19-23(3)4)40-36(48)33(24(5)6)42-34(46)29(39)22-51-38(50)32-15-12-18-44(32)25(7)45/h10-11,13-14,16-17,20,23-24,29-33H,8-9,12,15,18-19,21-22,39H2,1-7H3,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-,32-,33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of SHP2 (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50068213
(CHEMBL3403312)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H53FN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of SHP2 (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50068209
(CHEMBL3403308)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H57BrN6O7/c1-10-42(11-2)34(47)28(18-24-12-14-25(36)15-13-24)40-32(45)27(16-20(3)4)39-33(46)30(22(7)8)41-31(44)26(37)19-49-35(48)29(17-21(5)6)38-23(9)43/h12-15,20-22,26-30H,10-11,16-19,37H2,1-9H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of SHP2 (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50068158
(CHEMBL3403305)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H58N6O7/c1-10-41(11-2)34(46)28(19-25-15-13-12-14-16-25)39-32(44)27(17-21(3)4)38-33(45)30(23(7)8)40-31(43)26(36)20-48-35(47)29(18-22(5)6)37-24(9)42/h12-16,21-23,26-30H,10-11,17-20,36H2,1-9H3,(H,37,42)(H,38,45)(H,39,44)(H,40,43)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of SHP2 (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068209
(CHEMBL3403308)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H57BrN6O7/c1-10-42(11-2)34(47)28(18-24-12-14-25(36)15-13-24)40-32(45)27(16-20(3)4)39-33(46)30(22(7)8)41-31(44)26(37)19-49-35(48)29(17-21(5)6)38-23(9)43/h12-15,20-22,26-30H,10-11,16-19,37H2,1-9H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068209
(CHEMBL3403308)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H57BrN6O7/c1-10-42(11-2)34(47)28(18-24-12-14-25(36)15-13-24)40-32(45)27(16-20(3)4)39-33(46)30(22(7)8)41-31(44)26(37)19-49-35(48)29(17-21(5)6)38-23(9)43/h12-15,20-22,26-30H,10-11,16-19,37H2,1-9H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068209
(CHEMBL3403308)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H57BrN6O7/c1-10-42(11-2)34(47)28(18-24-12-14-25(36)15-13-24)40-32(45)27(16-20(3)4)39-33(46)30(22(7)8)41-31(44)26(37)19-49-35(48)29(17-21(5)6)38-23(9)43/h12-15,20-22,26-30H,10-11,16-19,37H2,1-9H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068215
(CHEMBL3403314)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H53BrN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068215
(CHEMBL3403314)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H53BrN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068215
(CHEMBL3403314)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H53BrN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068211
(CHEMBL3403310)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C39H60N6O7/c1-10-45(11-2)38(50)32(21-27-16-17-28-14-12-13-15-29(28)20-27)43-36(48)31(18-23(3)4)42-37(49)34(25(7)8)44-35(47)30(40)22-52-39(51)33(19-24(5)6)41-26(9)46/h12-17,20,23-25,30-34H,10-11,18-19,21-22,40H2,1-9H3,(H,41,46)(H,42,49)(H,43,48)(H,44,47)/t30-,31-,32-,33-,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068211
(CHEMBL3403310)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C39H60N6O7/c1-10-45(11-2)38(50)32(21-27-16-17-28-14-12-13-15-29(28)20-27)43-36(48)31(18-23(3)4)42-37(49)34(25(7)8)44-35(47)30(40)22-52-39(51)33(19-24(5)6)41-26(9)46/h12-17,20,23-25,30-34H,10-11,18-19,21-22,40H2,1-9H3,(H,41,46)(H,42,49)(H,43,48)(H,44,47)/t30-,31-,32-,33-,34-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068211
(CHEMBL3403310)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C39H60N6O7/c1-10-45(11-2)38(50)32(21-27-16-17-28-14-12-13-15-29(28)20-27)43-36(48)31(18-23(3)4)42-37(49)34(25(7)8)44-35(47)30(40)22-52-39(51)33(19-24(5)6)41-26(9)46/h12-17,20,23-25,30-34H,10-11,18-19,21-22,40H2,1-9H3,(H,41,46)(H,42,49)(H,43,48)(H,44,47)/t30-,31-,32-,33-,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068208
(CHEMBL3403307)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H57ClN6O7/c1-10-42(11-2)34(47)28(18-24-12-14-25(36)15-13-24)40-32(45)27(16-20(3)4)39-33(46)30(22(7)8)41-31(44)26(37)19-49-35(48)29(17-21(5)6)38-23(9)43/h12-15,20-22,26-30H,10-11,16-19,37H2,1-9H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068208
(CHEMBL3403307)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H57ClN6O7/c1-10-42(11-2)34(47)28(18-24-12-14-25(36)15-13-24)40-32(45)27(16-20(3)4)39-33(46)30(22(7)8)41-31(44)26(37)19-49-35(48)29(17-21(5)6)38-23(9)43/h12-15,20-22,26-30H,10-11,16-19,37H2,1-9H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068208
(CHEMBL3403307)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H57ClN6O7/c1-10-42(11-2)34(47)28(18-24-12-14-25(36)15-13-24)40-32(45)27(16-20(3)4)39-33(46)30(22(7)8)41-31(44)26(37)19-49-35(48)29(17-21(5)6)38-23(9)43/h12-15,20-22,26-30H,10-11,16-19,37H2,1-9H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068217
(CHEMBL3403316)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C38H56N6O7/c1-8-43(9-2)37(49)31(21-26-16-17-27-13-10-11-14-28(27)20-26)41-35(47)30(19-23(3)4)40-36(48)33(24(5)6)42-34(46)29(39)22-51-38(50)32-15-12-18-44(32)25(7)45/h10-11,13-14,16-17,20,23-24,29-33H,8-9,12,15,18-19,21-22,39H2,1-7H3,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-,32-,33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068217
(CHEMBL3403316)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C38H56N6O7/c1-8-43(9-2)37(49)31(21-26-16-17-27-13-10-11-14-28(27)20-26)41-35(47)30(19-23(3)4)40-36(48)33(24(5)6)42-34(46)29(39)22-51-38(50)32-15-12-18-44(32)25(7)45/h10-11,13-14,16-17,20,23-24,29-33H,8-9,12,15,18-19,21-22,39H2,1-7H3,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-,32-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068210
(CHEMBL3403309)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C36H60N6O8/c1-11-42(12-2)35(47)29(19-25-13-15-26(49-10)16-14-25)40-33(45)28(17-21(3)4)39-34(46)31(23(7)8)41-32(44)27(37)20-50-36(48)30(18-22(5)6)38-24(9)43/h13-16,21-23,27-31H,11-12,17-20,37H2,1-10H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t27-,28-,29-,30-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068217
(CHEMBL3403316)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C38H56N6O7/c1-8-43(9-2)37(49)31(21-26-16-17-27-13-10-11-14-28(27)20-26)41-35(47)30(19-23(3)4)40-36(48)33(24(5)6)42-34(46)29(39)22-51-38(50)32-15-12-18-44(32)25(7)45/h10-11,13-14,16-17,20,23-24,29-33H,8-9,12,15,18-19,21-22,39H2,1-7H3,(H,40,48)(H,41,47)(H,42,46)/t29-,30-,31-,32-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068210
(CHEMBL3403309)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C36H60N6O8/c1-11-42(12-2)35(47)29(19-25-13-15-26(49-10)16-14-25)40-33(45)28(17-21(3)4)39-34(46)31(23(7)8)41-32(44)27(37)20-50-36(48)30(18-22(5)6)38-24(9)43/h13-16,21-23,27-31H,11-12,17-20,37H2,1-10H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t27-,28-,29-,30-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068210
(CHEMBL3403309)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C36H60N6O8/c1-11-42(12-2)35(47)29(19-25-13-15-26(49-10)16-14-25)40-33(45)28(17-21(3)4)39-34(46)31(23(7)8)41-32(44)27(37)20-50-36(48)30(18-22(5)6)38-24(9)43/h13-16,21-23,27-31H,11-12,17-20,37H2,1-10H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t27-,28-,29-,30-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068214
(CHEMBL3403313)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H53ClN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068159
(CHEMBL3403306)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H57FN6O7/c1-10-42(11-2)34(47)28(18-24-12-14-25(36)15-13-24)40-32(45)27(16-20(3)4)39-33(46)30(22(7)8)41-31(44)26(37)19-49-35(48)29(17-21(5)6)38-23(9)43/h12-15,20-22,26-30H,10-11,16-19,37H2,1-9H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068159
(CHEMBL3403306)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H57FN6O7/c1-10-42(11-2)34(47)28(18-24-12-14-25(36)15-13-24)40-32(45)27(16-20(3)4)39-33(46)30(22(7)8)41-31(44)26(37)19-49-35(48)29(17-21(5)6)38-23(9)43/h12-15,20-22,26-30H,10-11,16-19,37H2,1-9H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068159
(CHEMBL3403306)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H57FN6O7/c1-10-42(11-2)34(47)28(18-24-12-14-25(36)15-13-24)40-32(45)27(16-20(3)4)39-33(46)30(22(7)8)41-31(44)26(37)19-49-35(48)29(17-21(5)6)38-23(9)43/h12-15,20-22,26-30H,10-11,16-19,37H2,1-9H3,(H,38,43)(H,39,46)(H,40,45)(H,41,44)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068214
(CHEMBL3403313)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H53ClN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068214
(CHEMBL3403313)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H53ClN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068216
(CHEMBL3403315)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C35H56N6O8/c1-9-40(10-2)34(46)28(19-24-13-15-25(48-8)16-14-24)38-32(44)27(18-21(3)4)37-33(45)30(22(5)6)39-31(43)26(36)20-49-35(47)29-12-11-17-41(29)23(7)42/h13-16,21-22,26-30H,9-12,17-20,36H2,1-8H3,(H,37,45)(H,38,44)(H,39,43)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068216
(CHEMBL3403315)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C35H56N6O8/c1-9-40(10-2)34(46)28(19-24-13-15-25(48-8)16-14-24)38-32(44)27(18-21(3)4)37-33(45)30(22(5)6)39-31(43)26(36)20-49-35(47)29-12-11-17-41(29)23(7)42/h13-16,21-22,26-30H,9-12,17-20,36H2,1-8H3,(H,37,45)(H,38,44)(H,39,43)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068216
(CHEMBL3403315)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C35H56N6O8/c1-9-40(10-2)34(46)28(19-24-13-15-25(48-8)16-14-24)38-32(44)27(18-21(3)4)37-33(45)30(22(5)6)39-31(43)26(36)20-49-35(47)29-12-11-17-41(29)23(7)42/h13-16,21-22,26-30H,9-12,17-20,36H2,1-8H3,(H,37,45)(H,38,44)(H,39,43)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068213
(CHEMBL3403312)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H53FN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068213
(CHEMBL3403312)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H53FN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068213
(CHEMBL3403312)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H53FN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068158
(CHEMBL3403305)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H58N6O7/c1-10-41(11-2)34(46)28(19-25-15-13-12-14-16-25)39-32(44)27(17-21(3)4)38-33(45)30(23(7)8)40-31(43)26(36)20-48-35(47)29(18-22(5)6)37-24(9)42/h12-16,21-23,26-30H,10-11,17-20,36H2,1-9H3,(H,37,42)(H,38,45)(H,39,44)(H,40,43)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.48E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068158
(CHEMBL3403305)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H58N6O7/c1-10-41(11-2)34(46)28(19-25-15-13-12-14-16-25)39-32(44)27(17-21(3)4)38-33(45)30(23(7)8)40-31(43)26(36)20-48-35(47)29(18-22(5)6)37-24(9)42/h12-16,21-23,26-30H,10-11,17-20,36H2,1-9H3,(H,37,42)(H,38,45)(H,39,44)(H,40,43)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.48E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068158
(CHEMBL3403305)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C35H58N6O7/c1-10-41(11-2)34(46)28(19-25-15-13-12-14-16-25)39-32(44)27(17-21(3)4)38-33(45)30(23(7)8)40-31(43)26(36)20-48-35(47)29(18-22(5)6)37-24(9)42/h12-16,21-23,26-30H,10-11,17-20,36H2,1-9H3,(H,37,42)(H,38,45)(H,39,44)(H,40,43)/t26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.48E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50068212
(CHEMBL3403311)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H54N6O7/c1-8-39(9-2)33(45)27(19-24-14-11-10-12-15-24)37-31(43)26(18-21(3)4)36-32(44)29(22(5)6)38-30(42)25(35)20-47-34(46)28-16-13-17-40(28)23(7)41/h10-12,14-15,21-22,25-29H,8-9,13,16-20,35H2,1-7H3,(H,36,44)(H,37,43)(H,38,42)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of MAGL (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50068212
(CHEMBL3403311)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H54N6O7/c1-8-39(9-2)33(45)27(19-24-14-11-10-12-15-24)37-31(43)26(18-21(3)4)36-32(44)29(22(5)6)38-30(42)25(35)20-47-34(46)28-16-13-17-40(28)23(7)41/h10-12,14-15,21-22,25-29H,8-9,13,16-20,35H2,1-7H3,(H,36,44)(H,37,43)(H,38,42)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of AchE (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50068212
(CHEMBL3403311)Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H54N6O7/c1-8-39(9-2)33(45)27(19-24-14-11-10-12-15-24)37-31(43)26(18-21(3)4)36-32(44)29(22(5)6)38-30(42)25(35)20-47-34(46)28-16-13-17-40(28)23(7)41/h10-12,14-15,21-22,25-29H,8-9,13,16-20,35H2,1-7H3,(H,36,44)(H,37,43)(H,38,42)/t25-,26-,27-,28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Science& Technology
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
Bioorg Med Chem 23: 2562-7 (2015)
Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3 |
More data for this
Ligand-Target Pair | |
Search and Browse
