BDBM50384413 CHEMBL2031505

SMILES: C[C@H]1CCC[C@@H](CNC(=O)c2cccc3cccnc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1

InChI Key: InChIKey=QDFUSTLNIXAUHP-JTSKRJEESA-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 = 50384413   

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))	BDBM50384413 (CHEMBL2031505) Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3cccnc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H27FN4O2S/c1-17-6-3-9-22(16-31-27(34)23-10-4-7-19-8-5-15-30-24(19)23)33(17)28(35)25-26(36-18(2)32-25)20-11-13-21(29)14-12-20/h4-5,7-8,10-15,17,22H,3,6,9,16H2,1-2H3,(H,31,34)/t17-,22-/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	12	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))	BDBM50384413 (CHEMBL2031505) Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3cccnc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H27FN4O2S/c1-17-6-3-9-22(16-31-27(34)23-10-4-7-19-8-5-15-30-24(19)23)33(17)28(35)25-26(36-18(2)32-25)20-11-13-21(29)14-12-20/h4-5,7-8,10-15,17,22H,3,6,9,16H2,1-2H3,(H,31,34)/t17-,22-/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	151	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