Found 15 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 |
|---|
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355797
(CHEMBL1911742)Show SMILES CSc1ccc2OC[C@@H](C)N([C@@H](C)c2c1)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H20ClNO2S/c1-12-11-23-18-9-8-16(24-3)10-17(18)13(2)21(12)19(22)14-4-6-15(20)7-5-14/h4-10,12-13H,11H2,1-3H3/t12-,13+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355805
(CHEMBL1911750)Show SMILES C[C@@H]1COc2ccc(OC(F)F)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H18ClF2NO3/c1-11-10-25-17-8-7-15(26-19(21)22)9-16(17)12(2)23(11)18(24)13-3-5-14(20)6-4-13/h3-9,11-12,19H,10H2,1-2H3/t11-,12+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355793
(CHEMBL1911640)Show SMILES COc1ccc2OC[C@@H](C)N([C@@H](C)c2c1)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H20ClNO3/c1-12-11-24-18-9-8-16(23-3)10-17(18)13(2)21(12)19(22)14-4-6-15(20)7-5-14/h4-10,12-13H,11H2,1-3H3/t12-,13+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355804
(CHEMBL1911749)Show SMILES C[C@@H]1COc2ccc(OC(F)(F)F)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H17ClF3NO3/c1-11-10-26-17-8-7-15(27-19(21,22)23)9-16(17)12(2)24(11)18(25)13-3-5-14(20)6-4-13/h3-9,11-12H,10H2,1-2H3/t11-,12+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355795
(CHEMBL1911642)Show SMILES C[C@@H]1COc2ccc(C)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H20ClNO2/c1-12-4-9-18-17(10-12)14(3)21(13(2)11-23-18)19(22)15-5-7-16(20)8-6-15/h4-10,13-14H,11H2,1-3H3/t13-,14+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355796
(CHEMBL1911643)Show SMILES CCc1ccc2OC[C@@H](C)N([C@@H](C)c2c1)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-4-15-5-10-19-18(11-15)14(3)22(13(2)12-24-19)20(23)16-6-8-17(21)9-7-16/h5-11,13-14H,4,12H2,1-3H3/t13-,14+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355803
(CHEMBL1911748)Show SMILES C[C@@H]1COc2ccc(cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H17ClF3NO2/c1-11-10-26-17-8-5-14(19(21,22)23)9-16(17)12(2)24(11)18(25)13-3-6-15(20)7-4-13/h3-9,11-12H,10H2,1-2H3/t11-,12+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355802
(CHEMBL1911747)Show SMILES C[C@@H]1COc2ccc(Br)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H17BrClNO2/c1-11-10-23-17-8-5-14(19)9-16(17)12(2)21(11)18(22)13-3-6-15(20)7-4-13/h3-9,11-12H,10H2,1-2H3/t11-,12+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355801
(CHEMBL1911746)Show SMILES C[C@@H]1COc2ccc(Cl)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H17Cl2NO2/c1-11-10-23-17-8-7-15(20)9-16(17)12(2)21(11)18(22)13-3-5-14(19)6-4-13/h3-9,11-12H,10H2,1-2H3/t11-,12+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50355793
(CHEMBL1911640)Show SMILES COc1ccc2OC[C@@H](C)N([C@@H](C)c2c1)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H20ClNO3/c1-12-11-24-18-9-8-16(23-3)10-17(18)13(2)21(12)19(22)14-4-6-15(20)7-5-14/h4-10,12-13H,11H2,1-3H3/t12-,13+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50355805
(CHEMBL1911750)Show SMILES C[C@@H]1COc2ccc(OC(F)F)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H18ClF2NO3/c1-11-10-25-17-8-7-15(26-19(21)22)9-16(17)12(2)23(11)18(24)13-3-5-14(20)6-4-13/h3-9,11-12,19H,10H2,1-2H3/t11-,12+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1R intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355800
(CHEMBL1911745)Show SMILES C[C@@H]1COc2ccc(F)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H17ClFNO2/c1-11-10-23-17-8-7-15(20)9-16(17)12(2)21(11)18(22)13-3-5-14(19)6-4-13/h3-9,11-12H,10H2,1-2H3/t11-,12+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355799
(CHEMBL1911744)Show SMILES C[C@@H]1COc2ccc(cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H20ClNO4S/c1-12-11-25-18-9-8-16(26(3,23)24)10-17(18)13(2)21(12)19(22)14-4-6-15(20)7-5-14/h4-10,12-13H,11H2,1-3H3/t12-,13+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355794
(CHEMBL1911641)Show SMILES C[C@@H]1COc2ccccc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H18ClNO2/c1-12-11-22-17-6-4-3-5-16(17)13(2)20(12)18(21)14-7-9-15(19)10-8-14/h3-10,12-13H,11H2,1-2H3/t12-,13+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50355798
(CHEMBL1911743)Show SMILES C[C@@H]1COc2ccc(cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1)C#N |r| Show InChI InChI=1S/C19H17ClN2O2/c1-12-11-24-18-8-3-14(10-21)9-17(18)13(2)22(12)19(23)15-4-6-16(20)7-5-15/h3-9,12-13H,11H2,1-2H3/t12-,13+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 21: 6414-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH |
More data for this
Ligand-Target Pair | |
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