BDBM50417237 CHEMBL1272309

SMILES: Cc1occc1-c1nnc(SCC(=O)N(c2cccnc2)c2cc(C)cc(C)c2)n1Cc1ccco1

InChI Key: InChIKey=UYDUIXFWXXXVNM-UHFFFAOYSA-N

Data: 2 KI

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 = 50417237   

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))	BDBM50417237 (CHEMBL1272309) Show SMILES Cc1occc1-c1nnc(SCC(=O)N(c2cccnc2)c2cc(C)cc(C)c2)n1Cc1ccco1 Show InChI InChI=1S/C27H25N5O3S/c1-18-12-19(2)14-22(13-18)32(21-6-4-9-28-15-21)25(33)17-36-27-30-29-26(24-8-11-34-20(24)3)31(27)16-23-7-5-10-35-23/h4-15H,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 6405-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.090 BindingDB Entry DOI: 10.7270/Q2W37WKR
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50417237 (CHEMBL1272309) Show SMILES Cc1occc1-c1nnc(SCC(=O)N(c2cccnc2)c2cc(C)cc(C)c2)n1Cc1ccco1 Show InChI InChI=1S/C27H25N5O3S/c1-18-12-19(2)14-22(13-18)32(21-6-4-9-28-15-21)25(33)17-36-27-30-29-26(24-8-11-34-20(24)3)31(27)16-23-7-5-10-35-23/h4-15H,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 6405-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.090 BindingDB Entry DOI: 10.7270/Q2W37WKR
					More data for this Ligand-Target Pair