BDBM50120441 1-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl-3,3a-dihydro-pyrazolo[1,5-a]pyridin-4-yl)-propenone::CHEMBL144740

SMILES: OCC[C@@H]1CCCCN1C(=O)C=CC1=CC=CN2N=C(CC12)c1ccccc1

InChI Key: InChIKey=VYLXLPRFXILGDM-AIBWNMTMSA-N

Data: 1 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 1 hit for monomerid = 50120441   

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
Adenosine A1 receptor (BOVINE)	BDBM50120441 (1-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl...) Show SMILES OCC[C@@H]1CCCCN1C(=O)C=CC1=CC=CN2N=C(CC12)c1ccccc1 |w:11.11,c:16,19,t:14| Show InChI InChI=1S/C23H27N3O2/c27-16-13-20-10-4-5-14-25(20)23(28)12-11-19-9-6-15-26-22(19)17-21(24-26)18-7-2-1-3-8-18/h1-3,6-9,11-12,15,20,22,27H,4-5,10,13-14,16-17H2/t20-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Binding affinity at bovine Adenosine A1 receptor.				J Med Chem 45: 4875-87 (2002) BindingDB Entry DOI: 10.7270/Q2N87BHS
					More data for this Ligand-Target Pair