Found 37 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 |
|---|
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50228403
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376986
(CHEMBL257376)Show SMILES CC#CCn1c(NCCN)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12 Show InChI InChI=1S/C21H22N8O/c1-3-4-11-28-19-17(27-21(28)23-10-9-22)12-24-29(20(19)30)13-18-25-14(2)15-7-5-6-8-16(15)26-18/h5-8,12H,9-11,13,22H2,1-2H3,(H,23,27) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376984
(CHEMBL256121)Show SMILES CC#CCn1c(nc2c(C)nn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O/c1-4-5-13-32-23-22(29-25(32)31-12-8-9-18(26)14-31)17(3)30-33(24(23)34)15-21-27-16(2)19-10-6-7-11-20(19)28-21/h6-7,10-11,18H,8-9,12-15,26H2,1-3H3/t18-/m1/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376985
(CHEMBL403553)Show SMILES CC#CCn1c(nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C24H26N8O/c1-3-4-12-31-22-20(29-24(31)30-11-7-8-17(25)14-30)13-26-32(23(22)33)15-21-27-16(2)18-9-5-6-10-19(18)28-21/h5-6,9-10,13,17H,7-8,11-12,14-15,25H2,1-2H3/t17-/m1/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376982
(CHEMBL403408)Show SMILES CC#CCn1c(NC[C@H](C)N)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12 Show InChI InChI=1S/C22H24N8O/c1-4-5-10-29-20-18(28-22(29)24-11-14(2)23)12-25-30(21(20)31)13-19-26-15(3)16-8-6-7-9-17(16)27-19/h6-9,12,14H,10-11,13,23H2,1-3H3,(H,24,28)/t14-/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50228406
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-10-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3/t19-/m1/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376987
(CHEMBL257999)Show SMILES CC#CCn1c(nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCCNCC1 Show InChI InChI=1S/C24H26N8O/c1-3-4-13-31-22-20(29-24(31)30-12-7-10-25-11-14-30)15-26-32(23(22)33)16-21-27-17(2)18-8-5-6-9-19(18)28-21/h5-6,8-9,15,25H,7,10-14,16H2,1-2H3 | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376991
(CHEMBL401502)Show SMILES CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 |t:12| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-34-26-22(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-23-20-10-4-6-12-24(20)37-25-13-7-5-11-21(25)31-23/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/m1/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376988
(CHEMBL256969)Show SMILES CC#CCn1c(nc2cnn(Cc3nc4ccccc4o3)c(=O)c12)N1CCCC(N)C1 |w:28.32| Show InChI InChI=1S/C22H23N7O2/c1-2-3-11-28-20-17(26-22(28)27-10-6-7-15(23)13-27)12-24-29(21(20)30)14-19-25-16-8-4-5-9-18(16)31-19/h4-5,8-9,12,15H,6-7,10-11,13-14,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376989
(CHEMBL404220)Show SMILES CC#CCn1c(nc2cnn(Cc3ccc(C#N)c4ccccc34)c(=O)c12)N1CCCC(N)C1 |w:31.35| Show InChI InChI=1S/C26H25N7O/c1-2-3-13-32-24-23(30-26(32)31-12-6-7-20(28)17-31)15-29-33(25(24)34)16-19-11-10-18(14-27)21-8-4-5-9-22(19)21/h4-5,8-11,15,20H,6-7,12-13,16-17,28H2,1H3 | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376983
(CHEMBL401971)Show SMILES CC#CCn1c(nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCNCC1 Show InChI InChI=1S/C23H24N8O/c1-3-4-11-30-21-19(28-23(30)29-12-9-24-10-13-29)14-25-31(22(21)32)15-20-26-16(2)17-7-5-6-8-18(17)27-20/h5-8,14,24H,9-13,15H2,1-2H3 | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50377002
(CHEMBL256521)Show SMILES CC#CCn1c(nc2cnn(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCCC(N)C1 |w:30.34| Show InChI InChI=1S/C25H27N7O/c1-3-4-12-31-23-21(29-25(31)30-11-7-9-19(26)15-30)14-27-32(24(23)33)16-22-20-10-6-5-8-18(20)13-17(2)28-22/h5-6,8,10,13-14,19H,7,9,11-12,15-16,26H2,1-2H3 | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50377001
(CHEMBL255709)Show SMILES CC#CCn1c(nc2c(C)nn(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCCC(N)C1 |w:31.35| Show InChI InChI=1S/C26H29N7O/c1-4-5-13-32-24-23(29-26(32)31-12-8-10-20(27)15-31)18(3)30-33(25(24)34)16-22-21-11-7-6-9-19(21)14-17(2)28-22/h6-7,9,11,14,20H,8,10,12-13,15-16,27H2,1-3H3 | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376981
(CHEMBL401709)Show SMILES CC#CCn1c(nc2cnn(Cc3cccc4ccccc34)c(=O)c12)N1CCCC(N)C1 |w:29.33| Show InChI InChI=1S/C25H26N6O/c1-2-3-14-30-23-22(28-25(30)29-13-7-11-20(26)17-29)15-27-31(24(23)32)16-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12,15,20H,7,11,13-14,16-17,26H2,1H3 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376991
(CHEMBL401502)Show SMILES CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 |t:12| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-34-26-22(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-23-20-10-4-6-12-24(20)37-25-13-7-5-11-21(25)31-23/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/m1/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50377003
(CHEMBL404326)Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3cccc4ccccc34)c(=O)c12)N1CCCC(N)C1 |w:31.35| Show InChI InChI=1S/C26H28N6O2/c1-3-4-15-31-22-23(28-25(31)30-14-8-12-20(27)17-30)29(2)26(34)32(24(22)33)16-19-11-7-10-18-9-5-6-13-21(18)19/h5-7,9-11,13,20H,8,12,14-17,27H2,1-2H3 | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376998
(CHEMBL255862)Show SMILES COc1nn(Cc2nc(C)cc3ccccc23)c(=O)c2n(CC#CC)c(nc12)N1CCCC(N)C1 |w:32.36| Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-23-22(29-26(32)31-12-8-10-19(27)15-31)24(35-3)30-33(25(23)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50377000
(CHEMBL255492)Show SMILES CC#CCn1c(nc2ccn(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCCC(N)C1 |w:30.34| Show InChI InChI=1S/C26H28N6O/c1-3-4-13-32-24-22(29-26(32)31-12-7-9-20(27)16-31)11-14-30(25(24)33)17-23-21-10-6-5-8-19(21)15-18(2)28-23/h5-6,8,10-11,14-15,20H,7,9,12-13,16-17,27H2,1-2H3 | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376993
(CHEMBL255517)Show SMILES CC#CCn1c(nnc1C(=O)NCc1nc(C)cc2ccccc12)N1CCCC(N)C1 |w:28.31| Show InChI InChI=1S/C23H27N7O/c1-3-4-12-30-21(27-28-23(30)29-11-7-9-18(24)15-29)22(31)25-14-20-19-10-6-5-8-17(19)13-16(2)26-20/h5-6,8,10,13,18H,7,9,11-12,14-15,24H2,1-2H3,(H,25,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376992
(CHEMBL256929)Show SMILES CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@H](N)C1 |t:12| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-34-26-22(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-23-20-10-4-6-12-24(20)37-25-13-7-5-11-21(25)31-23/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376990
(CHEMBL256928)Show SMILES CC#CCn1c(nc2cnn(CC(=O)c3ccccc3)c(=O)c12)N1CCCC(N)C1 Show InChI InChI=1S/C22H24N6O2/c1-2-3-12-27-20-18(25-22(27)26-11-7-10-17(23)14-26)13-24-28(21(20)30)15-19(29)16-8-5-4-6-9-16/h4-6,8-9,13,17H,7,10-12,14-15,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376999
(CHEMBL255864)Show SMILES COc1nn(Cc2cccc3ccccc23)c(=O)c2n(CC#CC)c(nc12)N1CCCC(N)C1 |w:31.35| Show InChI InChI=1S/C26H28N6O2/c1-3-4-15-31-23-22(28-26(31)30-14-8-12-20(27)17-30)24(34-2)29-32(25(23)33)16-19-11-7-10-18-9-5-6-13-21(18)19/h5-7,9-11,13,20H,8,12,14-17,27H2,1-2H3 | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376980
(CHEMBL255491)Show SMILES CC#CCn1c(nc2ccn(Cc3cccc4ccccc34)c(=O)c12)N1CCCC(N)C1 |w:29.33| Show InChI InChI=1S/C26H27N5O/c1-2-3-15-31-24-23(28-26(31)30-14-7-11-21(27)18-30)13-16-29(25(24)32)17-20-10-6-9-19-8-4-5-12-22(19)20/h4-6,8-10,12-13,16,21H,7,11,14-15,17-18,27H2,1H3 | 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 | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50376984
(CHEMBL256121)Show SMILES CC#CCn1c(nc2c(C)nn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O/c1-4-5-13-32-23-22(29-25(32)31-12-8-9-18(26)14-31)17(3)30-33(24(23)34)15-21-27-16(2)19-10-6-7-11-20(19)28-21/h6-7,10-11,18H,8-9,12-15,26H2,1-3H3/t18-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376997
(CHEMBL257795)Show SMILES CC#CCn1c(cnc1N1CCCC(N)C1)C(=O)NCc1nc(C)cc2ccccc12 |w:13.14| Show InChI InChI=1S/C24H28N6O/c1-3-4-12-30-22(15-27-24(30)29-11-7-9-19(25)16-29)23(31)26-14-21-20-10-6-5-8-18(20)13-17(2)28-21/h5-6,8,10,13,15,19H,7,9,11-12,14,16,25H2,1-2H3,(H,26,31) | 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 | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376979
(CHEMBL401972)Show SMILES CC#CCn1c(cnc1N1CCCC(N)C1)C(=O)NCc1cccc2ccccc12 |w:13.14| Show InChI InChI=1S/C24H27N5O/c1-2-3-14-29-22(16-27-24(29)28-13-7-11-20(25)17-28)23(30)26-15-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12,16,20H,7,11,13-15,17,25H2,1H3,(H,26,30) | 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 | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376994
(CHEMBL402111)Show SMILES CC#CCn1c(nc(Br)c1C(=O)NCc1cccc2ccccc12)N1CCCC(N)C1 |w:28.31| Show InChI InChI=1S/C24H26BrN5O/c1-2-3-14-30-21(22(25)28-24(30)29-13-7-11-19(26)16-29)23(31)27-15-18-10-6-9-17-8-4-5-12-20(17)18/h4-6,8-10,12,19H,7,11,13-16,26H2,1H3,(H,27,31) | 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 | 559 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376995
(CHEMBL402573)Show SMILES CC#CCn1c(nc(C#N)c1C(=O)NCc1cccc2ccccc12)N1CCCC(N)C1 |w:29.32| Show InChI InChI=1S/C25H26N6O/c1-2-3-14-31-23(22(15-26)29-25(31)30-13-7-11-20(27)17-30)24(32)28-16-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12,20H,7,11,13-14,16-17,27H2,1H3,(H,28,32) | 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 | 582 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50376989
(CHEMBL404220)Show SMILES CC#CCn1c(nc2cnn(Cc3ccc(C#N)c4ccccc34)c(=O)c12)N1CCCC(N)C1 |w:31.35| Show InChI InChI=1S/C26H25N7O/c1-2-3-13-32-24-23(30-26(32)31-12-6-7-20(28)17-31)15-29-33(25(24)34)16-19-11-10-18(14-27)21-8-4-5-9-22(19)21/h4-5,8-11,15,20H,6-7,12-13,16-17,28H2,1H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 862 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50376987
(CHEMBL257999)Show SMILES CC#CCn1c(nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCCNCC1 Show InChI InChI=1S/C24H26N8O/c1-3-4-13-31-22-20(29-24(31)30-12-7-10-25-11-14-30)15-26-32(23(22)33)16-21-27-17(2)18-8-5-6-9-19(18)28-21/h5-6,8-9,15,25H,7,10-14,16H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 954 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50376985
(CHEMBL403553)Show SMILES CC#CCn1c(nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C24H26N8O/c1-3-4-12-31-22-20(29-24(31)30-11-7-8-17(25)14-30)13-26-32(23(22)33)15-21-27-16(2)18-9-5-6-10-19(18)28-21/h5-6,9-10,13,17H,7-8,11-12,14-15,25H2,1-2H3/t17-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50376983
(CHEMBL401971)Show SMILES CC#CCn1c(nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCNCC1 Show InChI InChI=1S/C23H24N8O/c1-3-4-11-30-21-19(28-23(30)29-12-9-24-10-13-29)14-25-31(22(21)32)15-20-26-16(2)17-7-5-6-8-18(17)27-20/h5-8,14,24H,9-13,15H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50376996
(CHEMBL257589)Show SMILES CC#CCn1c(cnc1N1CCCC(N)C1)C(=O)N(C)Cc1cccc2ccccc12 |w:13.14| Show InChI InChI=1S/C25H29N5O/c1-3-4-15-30-23(16-27-25(30)29-14-8-12-21(26)18-29)24(31)28(2)17-20-11-7-10-19-9-5-6-13-22(19)20/h5-7,9-11,13,16,21H,8,12,14-15,17-18,26H2,1-2H3 | 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 | 3.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50376982
(CHEMBL403408)Show SMILES CC#CCn1c(NC[C@H](C)N)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12 Show InChI InChI=1S/C22H24N8O/c1-4-5-10-29-20-18(28-22(29)24-11-14(2)23)12-25-30(21(20)31)13-19-26-15(3)16-8-6-7-9-17(16)27-19/h6-9,12,14H,10-11,13,23H2,1-3H3,(H,24,28)/t14-/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50376991
(CHEMBL401502)Show SMILES CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 |t:12| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-34-26-22(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-23-20-10-4-6-12-24(20)37-25-13-7-5-11-21(25)31-23/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50376986
(CHEMBL257376)Show SMILES CC#CCn1c(NCCN)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12 Show InChI InChI=1S/C21H22N8O/c1-3-4-11-28-19-17(27-21(28)23-10-9-22)12-24-29(20(19)30)13-18-25-14(2)15-7-5-6-8-16(15)26-18/h5-8,12H,9-11,13,22H2,1-2H3,(H,23,27) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50376991
(CHEMBL401502)Show SMILES CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 |t:12| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-34-26-22(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-23-20-10-4-6-12-24(20)37-25-13-7-5-11-21(25)31-23/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 3158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M |
More data for this
Ligand-Target Pair | |
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