Found 24 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 |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM142122
(US8933079, 149 | US8933079, 150 | US8933079, 9.1)Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| 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 |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human MCH-R1 expressed in CHO/Galpha16 cells |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50107339
(CHEMBL3601294)Show InChI InChI=1S/C23H26N2O2/c1-24(2)17-20-10-8-19(9-11-20)12-14-25-15-13-22(16-23(25)26)27-18-21-6-4-3-5-7-21/h3-11,13,15-16H,12,14,17-18H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
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
Displacement of [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM142183
(US8933079, 5.2)Show SMILES CN(C)Cc1ccc(C(=O)Cn2ncc(OCc3ccccc3)cc2=O)c(C)c1 Show InChI InChI=1S/C23H25N3O3/c1-17-11-19(14-25(2)3)9-10-21(17)22(27)15-26-23(28)12-20(13-24-26)29-16-18-7-5-4-6-8-18/h4-13H,14-16H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50107335
(CHEMBL3601303)Show SMILES CN(C)Cc1ccc(cc1)C(=O)Cn1ncc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C22H23N3O3/c1-24(2)14-17-8-10-19(11-9-17)21(26)15-25-22(27)12-20(13-23-25)28-16-18-6-4-3-5-7-18/h3-13H,14-16H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50107338
(CHEMBL3601295)Show SMILES CN(C)Cc1ccc(cc1)C(=O)Cn1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C23H24N2O3/c1-24(2)15-18-8-10-20(11-9-18)22(26)16-25-13-12-21(14-23(25)27)28-17-19-6-4-3-5-7-19/h3-14H,15-17H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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
Displacement of [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM142217
(US8933079, 8.3)Show SMILES CN(C)Cc1ccc(C(=O)Cn2ncc(OCc3ccc(Br)cn3)cc2=O)c(C)c1 Show InChI InChI=1S/C22H23BrN4O3/c1-15-8-16(12-26(2)3)4-7-20(15)21(28)13-27-22(29)9-19(11-25-27)30-14-18-6-5-17(23)10-24-18/h4-11H,12-14H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM142134
(US8933079, 1.8)Show SMILES CN(C)Cc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)c(C)c1 Show InChI InChI=1S/C24H26N2O3/c1-18-13-20(15-25(2)3)9-10-22(18)23(27)16-26-12-11-21(14-24(26)28)29-17-19-7-5-4-6-8-19/h4-14H,15-17H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM142115
(US8933079, 4.1)Show SMILES CN(C)Cc1ccc(C(=O)Cn2ccc(OCc3ccc(Br)cn3)cc2=O)c(C)c1 Show InChI InChI=1S/C23H24BrN3O3/c1-16-10-17(13-26(2)3)4-7-21(16)22(28)14-27-9-8-20(11-23(27)29)30-15-19-6-5-18(24)12-25-19/h4-12H,13-15H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM142122
(US8933079, 149 | US8933079, 150 | US8933079, 9.1)Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to rat MCH-R1 |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM142122
(US8933079, 149 | US8933079, 150 | US8933079, 9.1)Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50107323
(CHEMBL3601375)Show SMILES CN(C)Cc1ccc(cc1)C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O Show InChI InChI=1S/C21H21BrN4O3/c1-25(2)12-15-3-5-16(6-4-15)20(27)13-26-21(28)9-19(11-24-26)29-14-18-8-7-17(22)10-23-18/h3-11H,12-14H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM142215
(US8933079, 7.16)Show SMILES CN(C)Cc1ccc(C(=O)Cn2ncc(OCc3ccc(Cl)cn3)cc2=O)c(C)c1 Show InChI InChI=1S/C22H23ClN4O3/c1-15-8-16(12-26(2)3)4-7-20(15)21(28)13-27-22(29)9-19(11-25-27)30-14-18-6-5-17(23)10-24-18/h4-11H,12-14H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| 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
Displacement of [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50107324
(CHEMBL3601373)Show SMILES CN(C)Cc1ccc(cc1)C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O Show InChI InChI=1S/C21H21ClN4O3/c1-25(2)12-15-3-5-16(6-4-15)20(27)13-26-21(28)9-19(11-24-26)29-14-18-8-7-17(22)10-23-18/h3-11H,12-14H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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
Displacement of [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50107336
(CHEMBL3601299)Show SMILES CN(C)Cc1ccc(cc1)C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O Show InChI InChI=1S/C22H22BrN3O3/c1-25(2)13-16-3-5-17(6-4-16)21(27)14-26-10-9-20(11-22(26)28)29-15-19-8-7-18(23)12-24-19/h3-12H,13-15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM142156
(US8933079, 3.9)Show SMILES CN(C)Cc1ccc(C(=O)Cn2ccc(OCc3ccc(Cl)cn3)cc2=O)c(C)c1 Show InChI InChI=1S/C23H24ClN3O3/c1-16-10-17(13-26(2)3)4-7-21(16)22(28)14-27-9-8-20(11-23(27)29)30-15-19-6-5-18(24)12-25-19/h4-12H,13-15H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50107337
(CHEMBL3601297)Show SMILES CN(C)Cc1ccc(cc1)C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O Show InChI InChI=1S/C22H22ClN3O3/c1-25(2)13-16-3-5-17(6-4-16)21(27)14-26-10-9-20(11-22(26)28)29-15-19-8-7-18(23)12-24-19/h3-12H,13-15H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM142230
(US8933079, 11.2)Show SMILES COc1ccc(COc2ccn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C24H27N3O4/c1-17-11-18(14-26(2)3)5-8-22(17)23(28)15-27-10-9-20(12-24(27)29)31-16-19-6-7-21(30-4)13-25-19/h5-13H,14-16H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM142147
(US8933079, 2.5)Show SMILES CN(C)Cc1ccc(C(=O)Cn2ccc(OCc3ccc(F)cn3)cc2=O)c(C)c1 Show InChI InChI=1S/C23H24FN3O3/c1-16-10-17(13-26(2)3)4-7-21(16)22(28)14-27-9-8-20(11-23(27)29)30-15-19-6-5-18(24)12-25-19/h4-12H,13-15H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | 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 [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM142122
(US8933079, 149 | US8933079, 150 | US8933079, 9.1)Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+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 human ERG by patch clamp assay |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM142122
(US8933079, 149 | US8933079, 150 | US8933079, 9.1)Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM142122
(US8933079, 149 | US8933079, 150 | US8933079, 9.1)Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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 CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM142122
(US8933079, 149 | US8933079, 150 | US8933079, 9.1)Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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 CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM142122
(US8933079, 149 | US8933079, 150 | US8933079, 9.1)Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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 CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM142122
(US8933079, 149 | US8933079, 150 | US8933079, 9.1)Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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 CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 25: 3275-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.065
BindingDB Entry DOI: 10.7270/Q2T43VV4 |
More data for this
Ligand-Target Pair | |
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