Found 3 hits of ic50 for monomerid = 50000985 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)) | BDBM50000985
(CHEMBL3235253)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C#Cc1ccc(F)cn1 |r| Show InChI InChI=1S/C23H22FN5O/c1-16-3-10-22(29-26-11-12-27-29)21(13-16)23(30)28-15-18(5-4-17(28)2)6-8-20-9-7-19(24)14-25-20/h3,7,9-14,17-18H,4-5,15H2,1-2H3/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Antagonist activity at human OX2 receptor assessed as Ca2+ flux by FLIPR assay |
Bioorg Med Chem Lett 24: 1784-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50000985
(CHEMBL3235253)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C#Cc1ccc(F)cn1 |r| Show InChI InChI=1S/C23H22FN5O/c1-16-3-10-22(29-26-11-12-27-29)21(13-16)23(30)28-15-18(5-4-17(28)2)6-8-20-9-7-19(24)14-25-20/h3,7,9-14,17-18H,4-5,15H2,1-2H3/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Antagonist activity at human OX1 receptor assessed as Ca2+ flux by FLIPR assay |
Bioorg Med Chem Lett 24: 1784-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50000985
(CHEMBL3235253)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C#Cc1ccc(F)cn1 |r| Show InChI InChI=1S/C23H22FN5O/c1-16-3-10-22(29-26-11-12-27-29)21(13-16)23(30)28-15-18(5-4-17(28)2)6-8-20-9-7-19(24)14-25-20/h3,7,9-14,17-18H,4-5,15H2,1-2H3/t17-,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 24: 1784-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F |
More data for this Ligand-Target Pair | |