BindingDB PrimarySearch

Found 10 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50384416'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 \| CHEMBL291536 \| SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Displacement of [125I]-orexin A from human OX1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting				J Med Chem 59: 8263-75 (2016) Article DOI: 10.1021/acs.jmedchem.6b00333 BindingDB Entry DOI: 10.7270/Q2H135G3
University of Helsinki Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 \| CHEMBL291536 \| SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sosei Heptares Curated by ChEMBL					Assay Description Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...				J Med Chem 63: 1528-1543 (2020) Article DOI: 10.1021/acs.jmedchem.9b01787 BindingDB Entry DOI: 10.7270/Q2474F8R
Sosei Heptares Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 \| CHEMBL291536 \| SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of N6,10-rhodamine green-tagged orexin-A from human OX1 receptor expressed in CHO cells measured after 30 mins by syto62 staining based ...				Bioorg Med Chem Lett 26: 5809-5814 (2016) Article DOI: 10.1016/j.bmcl.2016.10.019 BindingDB Entry DOI: 10.7270/Q2MS3VRG
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 \| CHEMBL291536 \| SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
Janssen Research& Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 \| CHEMBL291536 \| SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	48	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
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 \| CHEMBL291536 \| SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor (unknown origin)				J Med Chem 56: 6901-16 (2013) Article DOI: 10.1021/jm400720h BindingDB Entry DOI: 10.7270/Q22Z16Z9
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 \| CHEMBL291536 \| SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
Scripps Florida Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 \| CHEMBL291536 \| SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in RD-HGA16 cells assessed as inhibition of orexin A-induced intracellular calcium mobilization after 1...				Bioorg Med Chem Lett 22: 6661-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.109 BindingDB Entry DOI: 10.7270/Q2D50P27
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 \| CHEMBL291536 \| SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Antagonist activity at human OX1R expressed in CHOK1 cells by Syto62 probe based fluorescence assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569 BindingDB Entry DOI: 10.7270/Q2H41VXG
Palack£ University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 \| CHEMBL291536 \| SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Antagonist activity at human OX1R expressed in CHOK1 cells by Syto62 probe based fluorescence assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569 BindingDB Entry DOI: 10.7270/Q2H41VXG
Palack£ University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)