BDBM50384420 CHEMBL2031482

SMILES: Cc1nc(c(s1)C(=O)N1CCCCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1

InChI Key: InChIKey=IFPSLMURKPCEEU-UHFFFAOYSA-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 = 50384420   

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))	BDBM50384420 (CHEMBL2031482) Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1 Show InChI InChI=1S/C27H26N4O2S/c1-18-30-24(20-9-3-2-4-10-20)25(34-18)27(33)31-16-6-5-13-21(31)17-29-26(32)22-14-7-11-19-12-8-15-28-23(19)22/h2-4,7-12,14-15,21H,5-6,13,16-17H2,1H3,(H,29,32)	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	8	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
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50384420 (CHEMBL2031482) Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1 Show InChI InChI=1S/C27H26N4O2S/c1-18-30-24(20-9-3-2-4-10-20)25(34-18)27(33)31-16-6-5-13-21(31)17-29-26(32)22-14-7-11-19-12-8-15-28-23(19)22/h2-4,7-12,14-15,21H,5-6,13,16-17H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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