Found 4 hits for monomerid = 50321512 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50321512
(((1R,5S)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this Ligand-Target Pair | |
Orexin receptor type 1
(Homo sapiens (Human)) | BDBM50321512
(((1R,5S)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this Ligand-Target Pair | |
Orexin receptor type 1
(Homo sapiens (Human)) | BDBM50321512
(((1R,5S)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Antagonist activity at OX1R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50321512
(((1R,5S)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...)Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Antagonist activity at OX2R by FLIPR assay |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this Ligand-Target Pair | |