BDBM50384436 CHEMBL2031500

SMILES: OC1CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1

InChI Key: InChIKey=HLZFNXPRACQSDC-NQCNTLBGSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50384436   

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 1 (Homo sapiens (Human))	BDBM50384436 (CHEMBL2031500) Show SMILES OC1CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H27N3O3/c33-23-16-15-22(18-31-28(34)26-14-6-10-21-11-7-17-30-27(21)26)32(19-23)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23,33H,15-16,18-19H2,(H,31,34)/t22-,23?/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	2	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
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384436 (CHEMBL2031500) Show SMILES OC1CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H27N3O3/c33-23-16-15-22(18-31-28(34)26-14-6-10-21-11-7-17-30-27(21)26)32(19-23)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23,33H,15-16,18-19H2,(H,31,34)/t22-,23?/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 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
					More data for this Ligand-Target Pair