Found 23 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 |
|---|
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384401
(CHEMBL2031470)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384402
(CHEMBL2031471)Show SMILES CC(C)n1nc-2c(CCc3cc(OCCCN4CCC[C@H]4C)ccc-23)cc1=O |r| Show InChI InChI=1S/C23H31N3O2/c1-16(2)26-22(27)15-19-8-7-18-14-20(9-10-21(18)23(19)24-26)28-13-5-12-25-11-4-6-17(25)3/h9-10,14-17H,4-8,11-13H2,1-3H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384400
(CHEMBL2031474)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)[nH]nc-23)c1 |r| Show InChI InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-17-7-8-18-15(12-17)5-6-16-13-19(24)21-22-20(16)18/h7-8,12-14H,2-6,9-11H2,1H3,(H,21,24)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384406
(CHEMBL2031476)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3n[nH]c(=O)cc-23)c1 |r| Show InChI InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-16-6-7-17-15(12-16)5-8-19-18(17)13-20(24)22-21-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,24)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384401
(CHEMBL2031470)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384400
(CHEMBL2031474)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)[nH]nc-23)c1 |r| Show InChI InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-17-7-8-18-15(12-17)5-6-16-13-19(24)21-22-20(16)18/h7-8,12-14H,2-6,9-11H2,1H3,(H,21,24)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384405
(CHEMBL2031475)Show SMILES C[C@@H]1CCCN1CCCOc1ccc2C3=NNC(=O)CC3CCc2c1 |r,t:15| Show InChI InChI=1S/C20H27N3O2/c1-14-4-2-9-23(14)10-3-11-25-17-7-8-18-15(12-17)5-6-16-13-19(24)21-22-20(16)18/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,21,24)/t14-,16?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384403
(CHEMBL2031472)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(nc-23)-c2ccccc2)c1 |r| Show InChI InChI=1S/C26H29N3O2/c1-19-7-5-14-28(19)15-6-16-31-23-12-13-24-20(17-23)10-11-21-18-25(30)29(27-26(21)24)22-8-3-2-4-9-22/h2-4,8-9,12-13,17-19H,5-7,10-11,14-16H2,1H3/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384402
(CHEMBL2031471)Show SMILES CC(C)n1nc-2c(CCc3cc(OCCCN4CCC[C@H]4C)ccc-23)cc1=O |r| Show InChI InChI=1S/C23H31N3O2/c1-16(2)26-22(27)15-19-8-7-18-14-20(9-10-21(18)23(19)24-26)28-13-5-12-25-11-4-6-17(25)3/h9-10,14-17H,4-8,11-13H2,1-3H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384407
(CHEMBL2031477)Show SMILES O=C1CC2CCc3cc(OC4CCN(CC4)C4CCC4)ccc3C2=NN1 |c:27| Show InChI InChI=1S/C21H27N3O2/c25-20-13-15-5-4-14-12-18(6-7-19(14)21(15)23-22-20)26-17-8-10-24(11-9-17)16-2-1-3-16/h6-7,12,15-17H,1-5,8-11,13H2,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384406
(CHEMBL2031476)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3n[nH]c(=O)cc-23)c1 |r| Show InChI InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-16-6-7-17-15(12-16)5-8-19-18(17)13-20(24)22-21-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,24)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384403
(CHEMBL2031472)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(nc-23)-c2ccccc2)c1 |r| Show InChI InChI=1S/C26H29N3O2/c1-19-7-5-14-28(19)15-6-16-31-23-12-13-24-20(17-23)10-11-21-18-25(30)29(27-26(21)24)22-8-3-2-4-9-22/h2-4,8-9,12-13,17-19H,5-7,10-11,14-16H2,1H3/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384407
(CHEMBL2031477)Show SMILES O=C1CC2CCc3cc(OC4CCN(CC4)C4CCC4)ccc3C2=NN1 |c:27| Show InChI InChI=1S/C21H27N3O2/c25-20-13-15-5-4-14-12-18(6-7-19(14)21(15)23-22-20)26-17-8-10-24(11-9-17)16-2-1-3-16/h6-7,12,15-17H,1-5,8-11,13H2,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384405
(CHEMBL2031475)Show SMILES C[C@@H]1CCCN1CCCOc1ccc2C3=NNC(=O)CC3CCc2c1 |r,t:15| Show InChI InChI=1S/C20H27N3O2/c1-14-4-2-9-23(14)10-3-11-25-17-7-8-18-15(12-17)5-6-16-13-19(24)21-22-20(16)18/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,21,24)/t14-,16?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384404
(CHEMBL2031473)Show SMILES O=c1cc2CCc3cc(OCCCN4CCCCC4)ccc3-c2nn1Cc1ccccc1 Show InChI InChI=1S/C27H31N3O2/c31-26-19-23-11-10-22-18-24(32-17-7-16-29-14-5-2-6-15-29)12-13-25(22)27(23)28-30(26)20-21-8-3-1-4-9-21/h1,3-4,8-9,12-13,18-19H,2,5-7,10-11,14-17,20H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384404
(CHEMBL2031473)Show SMILES O=c1cc2CCc3cc(OCCCN4CCCCC4)ccc3-c2nn1Cc1ccccc1 Show InChI InChI=1S/C27H31N3O2/c31-26-19-23-11-10-22-18-24(32-17-7-16-29-14-5-2-6-15-29)12-13-25(22)27(23)28-30(26)20-21-8-3-1-4-9-21/h1,3-4,8-9,12-13,18-19H,2,5-7,10-11,14-17,20H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50384407
(CHEMBL2031477)Show SMILES O=C1CC2CCc3cc(OC4CCN(CC4)C4CCC4)ccc3C2=NN1 |c:27| Show InChI InChI=1S/C21H27N3O2/c25-20-13-15-5-4-14-12-18(6-7-19(14)21(15)23-22-20)26-17-8-10-24(11-9-17)16-2-1-3-16/h6-7,12,15-17H,1-5,8-11,13H2,(H,22,25) | 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 | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50384401
(CHEMBL2031470)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50384401
(CHEMBL2031470)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50384401
(CHEMBL2031470)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50384401
(CHEMBL2031470)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50384401
(CHEMBL2031470)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384401
(CHEMBL2031470)Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human H3 receptor by [35S]GTPgamma binding assay |
Bioorg Med Chem Lett 22: 4198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52 |
More data for this
Ligand-Target Pair | |
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