Found 2208 hits with Last Name = 'rizzolio' and Initial = 'm' 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 |
|---|
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50028059
(CHEMBL3338866)Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC Show InChI InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31) | PDB
Reactome pathway
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| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec... |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321465
((6-(3-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4...)Show SMILES Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24ClN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2 | PDB
Reactome pathway
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| CHEMBL
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UniChem
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321467
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(4-fluorophenox...)Show SMILES Fc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321503
((5-(3,4-dichlorophenoxy)pyridin-2-yl)(4-isopropyl-...)Show SMILES CC(C)N1CCCN(CC1)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cn1 Show InChI InChI=1S/C20H23Cl2N3O2/c1-14(2)24-8-3-9-25(11-10-24)20(26)19-7-5-16(13-23-19)27-15-4-6-17(21)18(22)12-15/h4-7,12-14H,3,8-11H2,1-2H3 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50561646
(CHEMBL4798102)Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2ccnc12 |r| | PDB
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| PC cid
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| Article
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OXIR |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321466
(3-(5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyridi...)Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2cccc(c2)C#N)nc1 Show InChI InChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2 | PDB
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063920
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1 | PDB
MMDB
Reactome pathway
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PC cid
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| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50063920
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1 | PDB
MMDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097380
(CHEMBL3586432)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+ | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321496
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(phenylthio)pyr...)Show InChI InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321463
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenox...)Show SMILES Fc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2 | PDB
Reactome pathway
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PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM64682
(US9475819, 10A)Show SMILES Cc1ccc(c(c1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3/t15-,17+,19-/m0/s1 | PDB
Reactome pathway
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| PC cid
PC sid
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| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OXIR |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321497
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(phenylthio)pyr...)Show InChI InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)17-6-4-7-17)20-11-10-19(16-22-20)26-18-8-2-1-3-9-18/h1-3,8-11,16-17H,4-7,12-15H2 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321468
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3-fluorophenox...)Show SMILES Fc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24FN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321498
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(2-fluorophenox...)Show InChI InChI=1S/C21H24FN3O2/c22-18-7-1-2-8-20(18)27-17-9-10-19(23-15-17)21(26)25-12-4-11-24(13-14-25)16-5-3-6-16/h1-2,7-10,15-16H,3-6,11-14H2 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321472
((4-cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-...)Show InChI InChI=1S/C21H25N3O2/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2 | PDB
Reactome pathway
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| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321469
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenyl...)Show SMILES Fc1ccc(Sc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3OS/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321500
((5-(3-chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4...)Show SMILES Clc1cccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24ClN3O2/c22-16-4-1-7-18(14-16)27-19-8-9-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-5-2-6-17/h1,4,7-9,14-15,17H,2-3,5-6,10-13H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50412863
(CHEMBL359632 | JNJ-10397049)Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1 |r| Show InChI InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1 | PDB
Reactome pathway
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50203731
(CHEMBL3973097)Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1nccc2[nH]cnc12 |r| Show InChI InChI=1S/C21H17F2N5O2/c22-21(23)8-10-28(20(29)19-18-15(7-9-24-19)25-12-26-18)11-16(21)30-17-6-5-13-3-1-2-4-14(13)27-17/h1-7,9,12,16H,8,10-11H2,(H,25,26)/t16-/m0/s1 | PDB
Reactome pathway
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OXIR |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321499
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(3-fluorophenox...)Show SMILES Fc1cccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24FN3O2/c22-16-4-1-7-18(14-16)27-19-8-9-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-5-2-6-17/h1,4,7-9,14-15,17H,2-3,5-6,10-13H2 | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321501
((5-(4-chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4...)Show SMILES Clc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24ClN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2 | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321488
((4-cyclobutyl-1,4-diazepan-1-yl)(4-(4-fluorophenox...)Show SMILES Fc1ccc(Oc2ccnc(c2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-23-20(15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2 | PDB
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50438822
(CHEMBL2413367)Show SMILES COc1ccc(C[C@@H]2N(CCc3cc(OC)c(OC)cc23)[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OXIR |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097388
(CHEMBL3586426)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+ | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321471
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3,4-dichloroph...)Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1Cl Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-7-6-17(13-19(18)23)28-20-8-5-15(14-24-20)21(27)26-10-2-9-25(11-12-26)16-3-1-4-16/h5-8,13-14,16H,1-4,9-12H2 | PDB
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| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097360
(CHEMBL3586440)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+ | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM163902
(US9062078, 33 | US9475819, 33 | US9637496, 33 | US...)Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 |TLB:21:20:18.17:15| Show InChI InChI=1S/C24H23FN4O2/c1-15-3-6-19(23-26-9-2-10-27-23)20(11-15)24(30)29-18-5-7-21(29)16(12-18)14-31-22-8-4-17(25)13-28-22/h2-4,6,8-11,13,16,18,21H,5,7,12,14H2,1H3 | PDB
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| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OXIR |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM65032
(US9475819, 279)Show SMILES Fc1cccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](C3)Nc2ccc(cn2)C(F)(F)F)c1-c1ncccn1 |r,TLB:15:13:11.10:8| Show InChI InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(33)32-14-6-7-18(32)17(11-14)31-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2,(H,30,31)/t14-,17-,18+/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OXIR |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097388
(CHEMBL3586426)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+ | PDB
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| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321502
((4-cyclopropyl-1,4-diazepan-1-yl)(5-(3,4-dichlorop...)Show SMILES Clc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CC2)cc1Cl Show InChI InChI=1S/C20H21Cl2N3O2/c21-17-6-4-15(12-18(17)22)27-16-5-7-19(23-13-16)20(26)25-9-1-8-24(10-11-25)14-2-3-14/h4-7,12-14H,1-3,8-11H2 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM163879
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OXIR |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321507
((4-cyclopropyl-1,4-diazepan-1-yl)(6-phenoxypyridin...)Show InChI InChI=1S/C20H23N3O2/c24-20(23-12-4-11-22(13-14-23)17-8-9-17)16-7-10-19(21-15-16)25-18-5-2-1-3-6-18/h1-3,5-7,10,15,17H,4,8-9,11-14H2 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50321471
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3,4-dichloroph...)Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1Cl Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-7-6-17(13-19(18)23)28-20-8-5-15(14-24-20)21(27)26-10-2-9-25(11-12-26)16-3-1-4-16/h5-8,13-14,16H,1-4,9-12H2 | PDB
Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to histamine H3 receptor in rat brain |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092813
(CHEMBL3586434)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092812
(CHEMBL3586433)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM163876
(US9062078, 10A | US9062078, 10B | US9062078, 9 | U...)Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3 | PDB
Reactome pathway
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OXIR |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50321466
(3-(5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyridi...)Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2cccc(c2)C#N)nc1 Show InChI InChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2 | PDB
Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to histamine H3 receptor in rat brain |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50103099
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H32N4O4S/c1-6-13(5)16(18(26)22-19-20-8-9-28-19)21-17(25)14(10-12(3)4)15(7-2)23(27)11-24/h8-9,11-16,27H,6-7,10H2,1-5H3,(H,21,25)(H,20,22,26)/t13-,14+,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 11: 2147-51 (2001)
BindingDB Entry DOI: 10.7270/Q2QZ298V |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321491
((4-cyclobutyl-1,4-diazepan-1-yl)(5-phenoxypyridin-...)Show InChI InChI=1S/C21H25N3O2/c25-21(24-11-5-10-23(12-13-24)18-6-4-7-18)17-14-20(16-22-15-17)26-19-8-2-1-3-9-19/h1-3,8-9,14-16,18H,4-7,10-13H2 | PDB
Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097360
(CHEMBL3586440)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+ | PDB
Reactome pathway
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50097380
(CHEMBL3586432)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+ | PDB
Reactome pathway
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321508
(3-(5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)pyrid...)Show SMILES O=C(N1CCCN(CC1)C1CC1)c1ccc(Oc2cccc(c2)C#N)nc1 Show InChI InChI=1S/C21H22N4O2/c22-14-16-3-1-4-19(13-16)27-20-8-5-17(15-23-20)21(26)25-10-2-9-24(11-12-25)18-6-7-18/h1,3-5,8,13,15,18H,2,6-7,9-12H2 | PDB
Reactome pathway
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM163879
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2 | PDB
Reactome pathway
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OX2R |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50321505
((6-(4-chlorophenoxy)pyridin-3-yl)(4-cyclopropyl-1,...)Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CC2)cc1 Show InChI InChI=1S/C20H22ClN3O2/c21-16-3-7-18(8-4-16)26-19-9-2-15(14-22-19)20(25)24-11-1-10-23(12-13-24)17-5-6-17/h2-4,7-9,14,17H,1,5-6,10-13H2 | PDB
Reactome pathway
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin... |
Bioorg Med Chem Lett 20: 4210-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50561653
(CHEMBL4749384)Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1ncc(cc1Cl)C(F)(F)F)N2C(=O)c1cccc(F)c1-c1ncccn1 |r,TLB:8:6:2.3:20| | PDB
Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OXIR |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM64646
(US9475819, 8A)Show SMILES Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C21H21FN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3/t14-,16+,17-/m0/s1 | PDB
Reactome pathway
KEGG
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human OXIR |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092813
(CHEMBL3586434)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway
KEGG
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PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
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