Found 105 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
(Mus musculus) | BDBM119755
(US8685958, 4 | US8685958, 5)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159145
(CHEMBL3786685)Show SMILES CC1(O)CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C24H26N4O4/c1-24(30)11-12-27(16-24)13-17-7-9-19(10-8-17)31-20-14-28(15-20)23(29)22-26-25-21(32-22)18-5-3-2-4-6-18/h2-10,20,30H,11-16H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159340
(CHEMBL3786169)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C24H26N4O4/c1-30-19-10-6-18(7-11-19)22-25-26-23(32-22)24(29)28-15-21(16-28)31-20-8-4-17(5-9-20)14-27-12-2-3-13-27/h4-11,21H,2-3,12-16H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159341
(CHEMBL3786346)Show SMILES O=C(N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H26N4O4/c30-24(23-27-26-22(33-23)19-5-2-1-3-6-19)29-14-21(15-29)32-20-9-7-18(8-10-20)13-28-16-25(17-28)11-4-12-31-25/h1-3,5-10,21H,4,11-17H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159339
(CHEMBL3786841)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-8-4-19(5-9-20)23-27-28-24(35-23)25(31)30-13-22(14-30)34-21-6-2-18(3-7-21)12-29-15-26(16-29)10-11-33-17-26/h2-9,22H,10-17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM119758
(US8685958, 7 | US8685958, 8)Show SMILES O=C(N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H26N4O4/c30-24(23-27-26-22(33-23)19-4-2-1-3-5-19)29-13-21(14-29)32-20-8-6-18(7-9-20)12-28-15-25(16-28)10-11-31-17-25/h1-9,21H,10-17H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159261
(CHEMBL3787333)Show SMILES CN(C)Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)c(C)c1 Show InChI InChI=1S/C22H24N4O3/c1-15-11-16(12-25(2)3)9-10-19(15)28-18-13-26(14-18)22(27)21-24-23-20(29-21)17-7-5-4-6-8-17/h4-11,18H,12-14H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159142
(CHEMBL3786311)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)CC2(C)COC2)cc1 Show InChI InChI=1S/C26H30N4O5/c1-26(16-33-17-26)15-29(2)12-18-4-8-21(9-5-18)34-22-13-30(14-22)25(31)24-28-27-23(35-24)19-6-10-20(32-3)11-7-19/h4-11,22H,12-17H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159144
(CHEMBL3787261)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCC(C)(O)C2)cc1 Show InChI InChI=1S/C25H28N4O5/c1-25(31)11-12-28(16-25)13-17-3-7-20(8-4-17)33-21-14-29(15-21)24(30)23-27-26-22(34-23)18-5-9-19(32-2)10-6-18/h3-10,21,31H,11-16H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159337
(CHEMBL3787028)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCOCC2)cc1 Show InChI InChI=1S/C25H28N4O5/c1-31-20-9-5-19(6-10-20)23-26-27-24(34-23)25(30)29-16-22(17-29)33-21-7-3-18(4-8-21)15-28-11-2-13-32-14-12-28/h3-10,22H,2,11-17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159282
(CHEMBL3786375)Show SMILES Clc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C25H27ClN4O3/c26-20-7-5-19(6-8-20)23-27-28-24(33-23)25(31)30-15-11-22(12-16-30)32-21-9-3-18(4-10-21)17-29-13-1-2-14-29/h3-10,22H,1-2,11-17H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from MCHR1 (unknown origin) expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysi... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159343
(CHEMBL3787394)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1 Show InChI InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159345
(CHEMBL3785663)Show SMILES O=C(N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O4/c29-23(22-26-25-21(32-22)18-4-2-1-3-5-18)28-11-20(12-28)31-19-8-6-17(7-9-19)10-27-13-24(14-27)15-30-16-24/h1-9,20H,10-16H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159342
(CHEMBL3787134)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C22H24N4O4/c1-25(2)12-15-4-8-18(9-5-15)29-19-13-26(14-19)22(27)21-24-23-20(30-21)16-6-10-17(28-3)11-7-16/h4-11,19H,12-14H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159141
(CHEMBL3785343)Show SMILES CN(Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)cc1)CC1(C)COC1 Show InChI InChI=1S/C25H28N4O4/c1-25(16-31-17-25)15-28(2)12-18-8-10-20(11-9-18)32-21-13-29(14-21)24(30)23-27-26-22(33-23)19-6-4-3-5-7-19/h3-11,21H,12-17H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159238
(CHEMBL3786272)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(C)c1 Show InChI InChI=1S/C23H26N4O4/c1-15-11-19(10-7-17(15)12-26(2)3)30-20-13-27(14-20)23(28)22-25-24-21(31-22)16-5-8-18(29-4)9-6-16/h5-11,20H,12-14H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50159236
(CHEMBL3787170)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(F)c1 Show InChI InChI=1S/C22H23FN4O4/c1-26(2)11-15-6-9-17(10-19(15)23)30-18-12-27(13-18)22(28)21-25-24-20(31-21)14-4-7-16(29-3)8-5-14/h4-10,18H,11-13H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159285
(CHEMBL3787639)Show SMILES FC(F)Oc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C26H28F2N4O4/c27-26(28)35-21-9-5-19(6-10-21)23-29-30-24(36-23)25(33)32-15-11-22(12-16-32)34-20-7-3-18(4-8-20)17-31-13-1-2-14-31/h3-10,22,26H,1-2,11-17H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM119763
(US8685958, 12)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCC22COC2)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)29-14-22(15-29)34-21-7-3-18(4-8-21)13-30-12-2-11-26(30)16-33-17-26/h3-10,22H,2,11-17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM119755
(US8685958, 4 | US8685958, 5)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3 | Reactome pathway
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159333
(CHEMBL3785102)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCOCC2)c(OC)c1 Show InChI InChI=1S/C25H28N4O6/c1-31-19-6-3-17(4-7-19)23-26-27-24(35-23)25(30)29-15-21(16-29)34-20-8-5-18(22(13-20)32-2)14-28-9-11-33-12-10-28/h3-8,13,21H,9-12,14-16H2,1-2H3 | Reactome pathway
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from human MCHR1 expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159143
(CHEMBL3786350)Show SMILES COC1CN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccc(OC)cc3)cc2)C1 Show InChI InChI=1S/C24H26N4O5/c1-30-18-9-5-17(6-10-18)22-25-26-23(33-22)24(29)28-14-21(15-28)32-19-7-3-16(4-8-19)11-27-12-20(13-27)31-2/h3-10,20-21H,11-15H2,1-2H3 | Reactome pathway
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159339
(CHEMBL3786841)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-8-4-19(5-9-20)23-27-28-24(35-23)25(31)30-13-22(14-30)34-21-6-2-18(3-7-21)12-29-15-26(16-29)10-11-33-17-26/h2-9,22H,10-17H2,1H3 | Reactome pathway
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AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM119758
(US8685958, 7 | US8685958, 8)Show SMILES O=C(N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H26N4O4/c30-24(23-27-26-22(33-23)19-4-2-1-3-5-19)29-13-21(14-29)32-20-8-6-18(7-9-20)12-28-15-25(16-28)10-11-31-17-25/h1-9,21H,10-17H2 | Reactome pathway
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AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159282
(CHEMBL3786375)Show SMILES Clc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C25H27ClN4O3/c26-20-7-5-19(6-8-20)23-27-28-24(33-23)25(31)30-15-11-22(12-16-30)32-21-9-3-18(4-10-21)17-29-13-1-2-14-29/h3-10,22H,1-2,11-17H2 | Reactome pathway
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AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159341
(CHEMBL3786346)Show SMILES O=C(N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H26N4O4/c30-24(23-27-26-22(33-23)19-5-2-1-3-6-19)29-14-21(15-29)32-20-9-7-18(8-10-20)13-28-16-25(17-28)11-4-12-31-25/h1-3,5-10,21H,4,11-17H2 | Reactome pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159261
(CHEMBL3787333)Show SMILES CN(C)Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)c(C)c1 Show InChI InChI=1S/C22H24N4O3/c1-15-11-16(12-25(2)3)9-10-19(15)28-18-13-26(14-18)22(27)21-24-23-20(29-21)17-7-5-4-6-8-17/h4-11,18H,12-14H2,1-3H3 | Reactome pathway
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AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159145
(CHEMBL3786685)Show SMILES CC1(O)CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C24H26N4O4/c1-24(30)11-12-27(16-24)13-17-7-9-19(10-8-17)31-20-14-28(15-20)23(29)22-26-25-21(32-22)18-5-3-2-4-6-18/h2-10,20,30H,11-16H2,1H3 | Reactome pathway
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159236
(CHEMBL3787170)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(F)c1 Show InChI InChI=1S/C22H23FN4O4/c1-26(2)11-15-6-9-17(10-19(15)23)30-18-12-27(13-18)22(28)21-25-24-20(31-21)14-4-7-16(29-3)8-5-14/h4-10,18H,11-13H2,1-3H3 | Reactome pathway
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PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159345
(CHEMBL3785663)Show SMILES O=C(N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O4/c29-23(22-26-25-21(32-22)18-4-2-1-3-5-18)28-11-20(12-28)31-19-8-6-17(7-9-19)10-27-13-24(14-27)15-30-16-24/h1-9,20H,10-16H2 | Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159238
(CHEMBL3786272)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(C)c1 Show InChI InChI=1S/C23H26N4O4/c1-15-11-19(10-7-17(15)12-26(2)3)30-20-13-27(14-20)23(28)22-25-24-21(31-22)16-5-8-18(29-4)9-6-16/h5-11,20H,12-14H2,1-4H3 | Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159144
(CHEMBL3787261)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCC(C)(O)C2)cc1 Show InChI InChI=1S/C25H28N4O5/c1-25(31)11-12-28(16-25)13-17-3-7-20(8-4-17)33-21-14-29(15-21)24(30)23-27-26-22(34-23)18-5-9-19(32-2)10-6-18/h3-10,21,31H,11-16H2,1-2H3 | Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159329
(CHEMBL3787461)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCN(C)CC2)c(F)c1 Show InChI InChI=1S/C25H28FN5O4/c1-29-9-11-30(12-10-29)14-18-5-8-20(13-22(18)26)34-21-15-31(16-21)25(32)24-28-27-23(35-24)17-3-6-19(33-2)7-4-17/h3-8,13,21H,9-12,14-16H2,1-2H3 | Reactome pathway
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from human MCHR1 expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159336
(CHEMBL3787462)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CC(O)C(C)(C)C2)cc1 Show InChI InChI=1S/C28H34N4O5/c1-28(2)18-31(17-24(28)33)16-19-4-8-22(9-5-19)36-23-12-14-32(15-13-23)27(34)26-30-29-25(37-26)20-6-10-21(35-3)11-7-20/h4-11,23-24,33H,12-18H2,1-3H3 | Reactome pathway
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AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159335
(CHEMBL3787642)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCC(O)C2)cc1 Show InChI InChI=1S/C26H30N4O5/c1-33-21-8-4-19(5-9-21)24-27-28-25(35-24)26(32)30-14-11-23(12-15-30)34-22-6-2-18(3-7-22)16-29-13-10-20(31)17-29/h2-9,20,23,31H,10-17H2,1H3 | Reactome pathway
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159333
(CHEMBL3785102)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCOCC2)c(OC)c1 Show InChI InChI=1S/C25H28N4O6/c1-31-19-6-3-17(4-7-19)23-26-27-24(35-23)25(30)29-15-21(16-29)34-20-8-5-18(22(13-20)32-2)14-28-9-11-33-12-10-28/h3-8,13,21H,9-12,14-16H2,1-2H3 | Reactome pathway
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AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159343
(CHEMBL3787394)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1 Show InChI InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3 | Reactome pathway
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159284
(CHEMBL3786572)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C26H30N4O4/c1-32-21-10-6-20(7-11-21)24-27-28-25(34-24)26(31)30-16-12-23(13-17-30)33-22-8-4-19(5-9-22)18-29-14-2-3-15-29/h4-11,23H,2-3,12-18H2,1H3 | Reactome pathway
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AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159342
(CHEMBL3787134)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C22H24N4O4/c1-25(2)12-15-4-8-18(9-5-15)29-19-13-26(14-19)22(27)21-24-23-20(30-21)16-6-10-17(28-3)11-7-16/h4-11,19H,12-14H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159142
(CHEMBL3786311)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)CC2(C)COC2)cc1 Show InChI InChI=1S/C26H30N4O5/c1-26(16-33-17-26)15-29(2)12-18-4-8-21(9-5-18)34-22-13-30(14-22)25(31)24-28-27-23(35-24)19-6-10-20(32-3)11-7-19/h4-11,22H,12-17H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159340
(CHEMBL3786169)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C24H26N4O4/c1-30-19-10-6-18(7-11-19)22-25-26-23(32-22)24(29)28-15-21(16-28)31-20-8-4-17(5-9-20)14-27-12-2-3-13-27/h4-11,21H,2-3,12-16H2,1H3 | Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159337
(CHEMBL3787028)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCOCC2)cc1 Show InChI InChI=1S/C25H28N4O5/c1-31-20-9-5-19(6-10-20)23-26-27-24(34-23)25(30)29-16-22(17-29)33-21-7-3-18(4-8-21)15-28-11-2-13-32-14-12-28/h3-10,22H,2,11-17H2,1H3 | Reactome pathway
KEGG
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PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159141
(CHEMBL3785343)Show SMILES CN(Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)cc1)CC1(C)COC1 Show InChI InChI=1S/C25H28N4O4/c1-25(16-31-17-25)15-28(2)12-18-8-10-20(11-9-18)32-21-13-29(14-21)24(30)23-27-26-22(33-23)19-6-4-3-5-7-19/h3-11,21H,12-17H2,1-2H3 | Reactome pathway
KEGG
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159336
(CHEMBL3787462)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CC(O)C(C)(C)C2)cc1 Show InChI InChI=1S/C28H34N4O5/c1-28(2)18-31(17-24(28)33)16-19-4-8-22(9-5-19)36-23-12-14-32(15-13-23)27(34)26-30-29-25(37-26)20-6-10-21(35-3)11-7-20/h4-11,23-24,33H,12-18H2,1-3H3 | Reactome pathway
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UniChem
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| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from human MCHR1 expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159335
(CHEMBL3787642)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCC(O)C2)cc1 Show InChI InChI=1S/C26H30N4O5/c1-33-21-8-4-19(5-9-21)24-27-28-25(35-24)26(32)30-14-11-23(12-15-30)34-22-6-2-18(3-7-22)16-29-13-10-20(31)17-29/h2-9,20,23,31H,10-17H2,1H3 | Reactome pathway
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UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from human MCHR1 expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159329
(CHEMBL3787461)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCN(C)CC2)c(F)c1 Show InChI InChI=1S/C25H28FN5O4/c1-29-9-11-30(12-10-29)14-18-5-8-20(13-22(18)26)34-21-15-31(16-21)25(32)24-28-27-23(35-24)17-3-6-19(33-2)7-4-17/h3-8,13,21H,9-12,14-16H2,1-2H3 | Reactome pathway
KEGG
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PC sid
UniChem
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PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159332
(CHEMBL3786662)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C26H30N4O5/c1-32-21-8-4-20(5-9-21)24-27-28-25(35-24)26(31)30-12-10-23(11-13-30)34-22-6-2-19(3-7-22)18-29-14-16-33-17-15-29/h2-9,23H,10-18H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from human MCHR1 expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159281
(CHEMBL3785118)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCN(C)CC2)cc1 Show InChI InChI=1S/C27H33N5O4/c1-30-15-17-31(18-16-30)19-20-3-7-23(8-4-20)35-24-11-13-32(14-12-24)27(33)26-29-28-25(36-26)21-5-9-22(34-2)10-6-21/h3-10,24H,11-19H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr13-MCH from human MCHR1 expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysis |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159283
(CHEMBL3787457)Show SMILES O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H28N4O3/c30-25(24-27-26-23(32-24)20-6-2-1-3-7-20)29-16-12-22(13-17-29)31-21-10-8-19(9-11-21)18-28-14-4-5-15-28/h1-3,6-11,22H,4-5,12-18H2 | Reactome pathway
KEGG
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PC sid
UniChem
| Article
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159286
(CHEMBL3787131)Show SMILES Fc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C25H27FN4O3/c26-20-7-5-19(6-8-20)23-27-28-24(33-23)25(31)30-15-11-22(12-16-30)32-21-9-3-18(4-10-21)17-29-13-1-2-14-29/h3-10,22H,1-2,11-17H2 | Reactome pathway
KEGG
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PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM119763
(US8685958, 12)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCC22COC2)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)29-14-22(15-29)34-21-7-3-18(4-8-21)13-30-12-2-11-26(30)16-33-17-26/h3-10,22H,2,11-17H2,1H3 | Reactome pathway
KEGG
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| PC cid
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UniChem
Similars
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159334
(CHEMBL3787345)Show SMILES OC1CCN(Cc2ccc(OC3CCN(CC3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C25H28N4O4/c30-20-10-13-28(17-20)16-18-6-8-21(9-7-18)32-22-11-14-29(15-12-22)25(31)24-27-26-23(33-24)19-4-2-1-3-5-19/h1-9,20,22,30H,10-17H2 | Reactome pathway
KEGG
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UniChem
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PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159288
(CHEMBL3787417)Show SMILES O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C26H29N3O3/c30-26(24-18-25(32-27-24)21-6-2-1-3-7-21)29-16-12-23(13-17-29)31-22-10-8-20(9-11-22)19-28-14-4-5-15-28/h1-3,6-11,18,23H,4-5,12-17,19H2 | Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159281
(CHEMBL3785118)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCN(C)CC2)cc1 Show InChI InChI=1S/C27H33N5O4/c1-30-15-17-31(18-16-30)19-20-3-7-23(8-4-20)35-24-11-13-32(14-12-24)27(33)26-29-28-25(36-26)21-5-9-22(34-2)10-6-21/h3-10,24H,11-19H2,1-2H3 | Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159332
(CHEMBL3786662)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C26H30N4O5/c1-32-21-8-4-20(5-9-21)24-27-28-25(35-24)26(31)30-12-10-23(11-13-30)34-22-6-2-19(3-7-22)18-29-14-16-33-17-15-29/h2-9,23H,10-18H2,1H3 | Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159338
(CHEMBL3786352)Show SMILES O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1nc(no1)-c1ccccc1 Show InChI InChI=1S/C25H28N4O3/c30-25(24-26-23(27-32-24)20-6-2-1-3-7-20)29-16-12-22(13-17-29)31-21-10-8-19(9-11-21)18-28-14-4-5-15-28/h1-3,6-11,22H,4-5,12-18H2 | Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159331
(CHEMBL3787582)Show SMILES CN1CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2F)CC1 Show InChI InChI=1S/C24H26FN5O3/c1-28-9-11-29(12-10-28)14-18-7-8-19(13-21(18)25)32-20-15-30(16-20)24(31)23-27-26-22(33-23)17-5-3-2-4-6-17/h2-8,13,20H,9-12,14-16H2,1H3 | Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159346
(CHEMBL3785819)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cn1 Show InChI InChI=1S/C25H29N5O4/c1-32-20-7-5-19(6-8-20)23-27-28-24(34-23)25(31)30-14-10-21(11-15-30)33-22-9-4-18(16-26-22)17-29-12-2-3-13-29/h4-9,16,21H,2-3,10-15,17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159327
(CHEMBL3787166)Show SMILES O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1noc(n1)-c1ccccc1 Show InChI InChI=1S/C25H28N4O3/c30-25(23-26-24(32-27-23)20-6-2-1-3-7-20)29-16-12-22(13-17-29)31-21-10-8-19(9-11-21)18-28-14-4-5-15-28/h1-3,6-11,22H,4-5,12-18H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159344
(CHEMBL3787492)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cn1 Show InChI InChI=1S/C21H23N5O4/c1-25(2)11-14-4-9-18(22-10-14)29-17-12-26(13-17)21(27)20-24-23-19(30-20)15-5-7-16(28-3)8-6-15/h4-10,17H,11-13H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159234
(CHEMBL3786609)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)nc1 Show InChI InChI=1S/C25H29N5O4/c1-32-20-7-4-18(5-8-20)23-27-28-24(34-23)25(31)30-14-10-21(11-15-30)33-22-9-6-19(26-16-22)17-29-12-2-3-13-29/h4-9,16,21H,2-3,10-15,17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50159343
(CHEMBL3787394)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1 Show InChI InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of histamine H3 receptor (unknown origin) |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159287
(CHEMBL3786923)Show SMILES Clc1ccccc1-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C25H27ClN4O3/c26-22-6-2-1-5-21(22)23-27-28-24(33-23)25(31)30-15-11-20(12-16-30)32-19-9-7-18(8-10-19)17-29-13-3-4-14-29/h1-2,5-10,20H,3-4,11-17H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50159330
(CHEMBL3787237)Show SMILES Cc1oc(nc1C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H31N3O3/c1-20-25(28-26(32-20)22-7-3-2-4-8-22)27(31)30-17-13-24(14-18-30)33-23-11-9-21(10-12-23)19-29-15-5-6-16-29/h2-4,7-12,24H,5-6,13-19H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins... |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159338
(CHEMBL3786352)Show SMILES O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1nc(no1)-c1ccccc1 Show InChI InChI=1S/C25H28N4O3/c30-25(24-26-23(27-32-24)20-6-2-1-3-7-20)29-16-12-22(13-17-29)31-21-10-8-19(9-11-21)18-28-14-4-5-15-28/h1-3,6-11,22H,4-5,12-18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159330
(CHEMBL3787237)Show SMILES Cc1oc(nc1C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H31N3O3/c1-20-25(28-26(32-20)22-7-3-2-4-8-22)27(31)30-17-13-24(14-18-30)33-23-11-9-21(10-12-23)19-29-15-5-6-16-29/h2-4,7-12,24H,5-6,13-19H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159288
(CHEMBL3787417)Show SMILES O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C26H29N3O3/c30-26(24-18-25(32-27-24)21-6-2-1-3-7-21)29-16-12-23(13-17-29)31-22-10-8-20(9-11-22)19-28-14-4-5-15-28/h1-3,6-11,18,23H,4-5,12-17,19H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159285
(CHEMBL3787639)Show SMILES FC(F)Oc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C26H28F2N4O4/c27-26(28)35-21-9-5-19(6-10-21)23-29-30-24(36-23)25(33)32-15-11-22(12-16-32)34-20-7-3-18(4-8-20)17-31-13-1-2-14-31/h3-10,22,26H,1-2,11-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159287
(CHEMBL3786923)Show SMILES Clc1ccccc1-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C25H27ClN4O3/c26-22-6-2-1-5-21(22)23-27-28-24(33-23)25(31)30-15-11-20(12-16-30)32-19-9-7-18(8-10-19)17-29-13-3-4-14-29/h1-2,5-10,20H,3-4,11-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159282
(CHEMBL3786375)Show SMILES Clc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C25H27ClN4O3/c26-20-7-5-19(6-8-20)23-27-28-24(33-23)25(31)30-15-11-22(12-16-30)32-21-9-3-18(4-10-21)17-29-13-1-2-14-29/h3-10,22H,1-2,11-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159340
(CHEMBL3786169)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C24H26N4O4/c1-30-19-10-6-18(7-11-19)22-25-26-23(32-22)24(29)28-15-21(16-28)31-20-8-4-17(5-9-20)14-27-12-2-3-13-27/h4-11,21H,2-3,12-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159286
(CHEMBL3787131)Show SMILES Fc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C25H27FN4O3/c26-20-7-5-19(6-8-20)23-27-28-24(33-23)25(31)30-15-11-22(12-16-30)32-21-9-3-18(4-10-21)17-29-13-1-2-14-29/h3-10,22H,1-2,11-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159328
(CHEMBL3786768)Show SMILES Cn1nc(cc1-c1ccccc1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C27H32N4O2/c1-29-26(22-7-3-2-4-8-22)19-25(28-29)27(32)31-17-13-24(14-18-31)33-23-11-9-21(10-12-23)20-30-15-5-6-16-30/h2-4,7-12,19,24H,5-6,13-18,20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159327
(CHEMBL3787166)Show SMILES O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1noc(n1)-c1ccccc1 Show InChI InChI=1S/C25H28N4O3/c30-25(23-26-24(32-27-23)20-6-2-1-3-7-20)29-16-12-22(13-17-29)31-21-10-8-19(9-11-21)18-28-14-4-5-15-28/h1-3,6-11,22H,4-5,12-18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159143
(CHEMBL3786350)Show SMILES COC1CN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccc(OC)cc3)cc2)C1 Show InChI InChI=1S/C24H26N4O5/c1-30-18-9-5-17(6-10-18)22-25-26-23(33-22)24(29)28-14-21(15-28)32-19-7-3-16(4-8-19)11-27-12-20(13-27)31-2/h3-10,20-21H,11-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159261
(CHEMBL3787333)Show SMILES CN(C)Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)c(C)c1 Show InChI InChI=1S/C22H24N4O3/c1-15-11-16(12-25(2)3)9-10-19(15)28-18-13-26(14-18)22(27)21-24-23-20(29-21)17-7-5-4-6-8-17/h4-11,18H,12-14H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159341
(CHEMBL3786346)Show SMILES O=C(N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H26N4O4/c30-24(23-27-26-22(33-23)19-5-2-1-3-6-19)29-14-21(15-29)32-20-9-7-18(8-10-20)13-28-16-25(17-28)11-4-12-31-25/h1-3,5-10,21H,4,11-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159333
(CHEMBL3785102)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCOCC2)c(OC)c1 Show InChI InChI=1S/C25H28N4O6/c1-31-19-6-3-17(4-7-19)23-26-27-24(35-23)25(30)29-15-21(16-29)34-20-8-5-18(22(13-20)32-2)14-28-9-11-33-12-10-28/h3-8,13,21H,9-12,14-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159238
(CHEMBL3786272)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(C)c1 Show InChI InChI=1S/C23H26N4O4/c1-15-11-19(10-7-17(15)12-26(2)3)30-20-13-27(14-20)23(28)22-25-24-21(31-22)16-5-8-18(29-4)9-6-16/h5-11,20H,12-14H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159336
(CHEMBL3787462)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CC(O)C(C)(C)C2)cc1 Show InChI InChI=1S/C28H34N4O5/c1-28(2)18-31(17-24(28)33)16-19-4-8-22(9-5-19)36-23-12-14-32(15-13-23)27(34)26-30-29-25(37-26)20-6-10-21(35-3)11-7-20/h4-11,23-24,33H,12-18H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159283
(CHEMBL3787457)Show SMILES O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H28N4O3/c30-25(24-27-26-23(32-24)20-6-2-1-3-7-20)29-16-12-22(13-17-29)31-21-10-8-19(9-11-21)18-28-14-4-5-15-28/h1-3,6-11,22H,4-5,12-18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159284
(CHEMBL3786572)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C26H30N4O4/c1-32-21-10-6-20(7-11-21)24-27-28-25(34-24)26(31)30-16-12-23(13-17-30)33-22-8-4-19(5-9-22)18-29-14-2-3-15-29/h4-11,23H,2-3,12-18H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM119763
(US8685958, 12)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCC22COC2)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)29-14-22(15-29)34-21-7-3-18(4-8-21)13-30-12-2-11-26(30)16-33-17-26/h3-10,22H,2,11-17H2,1H3 | 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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM119755
(US8685958, 4 | US8685958, 5)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3 | 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 | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159141
(CHEMBL3785343)Show SMILES CN(Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)cc1)CC1(C)COC1 Show InChI InChI=1S/C25H28N4O4/c1-25(16-31-17-25)15-28(2)12-18-8-10-20(11-9-18)32-21-13-29(14-21)24(30)23-27-26-22(33-23)19-6-4-3-5-7-19/h3-11,21H,12-17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159236
(CHEMBL3787170)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(F)c1 Show InChI InChI=1S/C22H23FN4O4/c1-26(2)11-15-6-9-17(10-19(15)23)30-18-12-27(13-18)22(28)21-25-24-20(31-21)14-4-7-16(29-3)8-5-14/h4-10,18H,11-13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159281
(CHEMBL3785118)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCN(C)CC2)cc1 Show InChI InChI=1S/C27H33N5O4/c1-30-15-17-31(18-16-30)19-20-3-7-23(8-4-20)35-24-11-13-32(14-12-24)27(33)26-29-28-25(36-26)21-5-9-22(34-2)10-6-21/h3-10,24H,11-19H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159142
(CHEMBL3786311)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)CC2(C)COC2)cc1 Show InChI InChI=1S/C26H30N4O5/c1-26(16-33-17-26)15-29(2)12-18-4-8-21(9-5-18)34-22-13-30(14-22)25(31)24-28-27-23(35-24)19-6-10-20(32-3)11-7-19/h4-11,22H,12-17H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159339
(CHEMBL3786841)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1 Show InChI InChI=1S/C26H28N4O5/c1-32-20-8-4-19(5-9-20)23-27-28-24(35-23)25(31)30-13-22(14-30)34-21-6-2-18(3-7-21)12-29-15-26(16-29)10-11-33-17-26/h2-9,22H,10-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM119758
(US8685958, 7 | US8685958, 8)Show SMILES O=C(N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H26N4O4/c30-24(23-27-26-22(33-23)19-4-2-1-3-5-19)29-13-21(14-29)32-20-8-6-18(7-9-20)12-28-15-25(16-28)10-11-31-17-25/h1-9,21H,10-17H2 | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159332
(CHEMBL3786662)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C26H30N4O5/c1-32-21-8-4-20(5-9-21)24-27-28-25(35-24)26(31)30-12-10-23(11-13-30)34-22-6-2-19(3-7-22)18-29-14-16-33-17-15-29/h2-9,23H,10-18H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159342
(CHEMBL3787134)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C22H24N4O4/c1-25(2)12-15-4-8-18(9-5-15)29-19-13-26(14-19)22(27)21-24-23-20(30-21)16-6-10-17(28-3)11-7-16/h4-11,19H,12-14H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159343
(CHEMBL3787394)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1 Show InChI InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159335
(CHEMBL3787642)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCC(O)C2)cc1 Show InChI InChI=1S/C26H30N4O5/c1-33-21-8-4-19(5-9-21)24-27-28-25(35-24)26(32)30-14-11-23(12-15-30)34-22-6-2-18(3-7-22)16-29-13-10-20(31)17-29/h2-9,20,23,31H,10-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159337
(CHEMBL3787028)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCOCC2)cc1 Show InChI InChI=1S/C25H28N4O5/c1-31-20-9-5-19(6-10-20)23-26-27-24(34-23)25(30)29-16-22(17-29)33-21-7-3-18(4-8-21)15-28-11-2-13-32-14-12-28/h3-10,22H,2,11-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159234
(CHEMBL3786609)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)nc1 Show InChI InChI=1S/C25H29N5O4/c1-32-20-7-4-18(5-8-20)23-27-28-24(34-23)25(31)30-14-10-21(11-15-30)33-22-9-6-19(26-16-22)17-29-12-2-3-13-29/h4-9,16,21H,2-3,10-15,17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159144
(CHEMBL3787261)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCC(C)(O)C2)cc1 Show InChI InChI=1S/C25H28N4O5/c1-25(31)11-12-28(16-25)13-17-3-7-20(8-4-17)33-21-14-29(15-21)24(30)23-27-26-22(34-23)18-5-9-19(32-2)10-6-18/h3-10,21,31H,11-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159345
(CHEMBL3785663)Show SMILES O=C(N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O4/c29-23(22-26-25-21(32-22)18-4-2-1-3-5-18)28-11-20(12-28)31-19-8-6-17(7-9-19)10-27-13-24(14-27)15-30-16-24/h1-9,20H,10-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159334
(CHEMBL3787345)Show SMILES OC1CCN(Cc2ccc(OC3CCN(CC3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C25H28N4O4/c30-20-10-13-28(17-20)16-18-6-8-21(9-7-18)32-22-11-14-29(15-12-22)25(31)24-27-26-23(33-24)19-4-2-1-3-5-19/h1-9,20,22,30H,10-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159346
(CHEMBL3785819)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cn1 Show InChI InChI=1S/C25H29N5O4/c1-32-20-7-5-19(6-8-20)23-27-28-24(34-23)25(31)30-14-10-21(11-15-30)33-22-9-4-18(16-26-22)17-29-12-2-3-13-29/h4-9,16,21H,2-3,10-15,17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159331
(CHEMBL3787582)Show SMILES CN1CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2F)CC1 Show InChI InChI=1S/C24H26FN5O3/c1-28-9-11-29(12-10-28)14-18-7-8-19(13-21(18)25)32-20-15-30(16-20)24(31)23-27-26-22(33-23)17-5-3-2-4-6-17/h2-8,13,20H,9-12,14-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159344
(CHEMBL3787492)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cn1 Show InChI InChI=1S/C21H23N5O4/c1-25(2)11-14-4-9-18(22-10-14)29-17-12-26(13-17)21(27)20-24-23-19(30-20)15-5-7-16(28-3)8-6-15/h4-10,17H,11-13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159329
(CHEMBL3787461)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCN(C)CC2)c(F)c1 Show InChI InChI=1S/C25H28FN5O4/c1-29-9-11-30(12-10-29)14-18-5-8-20(13-22(18)26)34-21-15-31(16-21)25(32)24-28-27-23(35-24)17-3-6-19(33-2)7-4-17/h3-8,13,21H,9-12,14-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50159145
(CHEMBL3786685)Show SMILES CC1(O)CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C24H26N4O4/c1-24(30)11-12-27(16-24)13-17-7-9-19(10-8-17)31-20-14-28(15-20)23(29)22-26-25-21(32-22)18-5-3-2-4-6-18/h2-10,20,30H,11-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by IonWork assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 2
(Homo sapiens (Human)) | BDBM50159343
(CHEMBL3787394)Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1 Show InChI InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human MCHR2 expressed in CHO cells after 60 to 75 mins by FLIPR assay |
J Med Chem 59: 2497-511 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS |
More data for this
Ligand-Target Pair | |
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