BDBM50245481 CHEMBL4060589

SMILES: O=c1cc(OCC2COc3ncccc3O2)cc2-c3ccc(cc3CCn12)C#Cc1ccncn1

InChI Key: InChIKey=ZBAJNSYGDXMTRM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50245481   

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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50245481 (CHEMBL4060589) Show SMILES O=c1cc(OCC2COc3ncccc3O2)cc2-c3ccc(cc3CCn12)C#Cc1ccncn1 Show InChI InChI=1S/C27H20N4O4/c32-26-14-21(33-15-22-16-34-27-25(35-22)2-1-9-29-27)13-24-23-6-4-18(12-19(23)8-11-31(24)26)3-5-20-7-10-28-17-30-20/h1-2,4,6-7,9-10,12-14,17,22H,8,11,15-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Antagonist activity at GPR84 (unknown origin) expressed in cell membranes after 90 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 527-553 (2017) Article DOI: 10.1021/acs.jmedchem.6b00935 BindingDB Entry DOI: 10.7270/Q29C70V2
					More data for this Ligand-Target Pair