BDBM50097385 CHEMBL3586425

SMILES: [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-c1cccs1

InChI Key: InChIKey=FRDFTQRXBJJJEU-HDICACEKSA-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 = 50097385   

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))	BDBM50097385 (CHEMBL3586425) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C25H22N4OS/c30-25(20-7-2-1-6-19(20)23-10-5-11-31-23)29-15-17-13-28(14-18(17)16-29)24-12-26-21-8-3-4-9-22(21)27-24/h1-12,17-18H,13-16H2/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human OX2 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50097385 (CHEMBL3586425) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1cnc2ccccc2n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C25H22N4OS/c30-25(20-7-2-1-6-19(20)23-10-5-11-31-23)29-15-17-13-28(14-18(17)16-29)24-12-26-21-8-3-4-9-22(21)27-24/h1-12,17-18H,13-16H2/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	623	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human OX1 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair