BDBM50084386 CHEMBL3426133

SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccccn1

InChI Key: InChIKey=UWUSTDOJYDMOBR-HZPDHXFCSA-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 = 50084386   

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))	BDBM50084386 (CHEMBL3426133) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccccn1 |r| Show InChI InChI=1S/C20H21N5O2/c1-15-9-10-16(27-19-8-4-5-11-21-19)14-24(15)20(26)17-6-2-3-7-18(17)25-22-12-13-23-25/h2-8,11-13,15-16H,9-10,14H2,1H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	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 [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50084386 (CHEMBL3426133) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccccn1 |r| Show InChI InChI=1S/C20H21N5O2/c1-15-9-10-16(27-19-8-4-5-11-21-19)14-24(15)20(26)17-6-2-3-7-18(17)25-22-12-13-23-25/h2-8,11-13,15-16H,9-10,14H2,1H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	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 [3H]-(S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in ...				Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5
					More data for this Ligand-Target Pair