BDBM50148601 CHEMBL3771367

SMILES: CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)Oc1ccccc1)c1ccccc1

InChI Key: InChIKey=ZAJVFTUISXBGJC-UHFFFAOYSA-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 = 50148601   

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
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50148601 (CHEMBL3771367) Show SMILES CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)Oc1ccccc1)c1ccccc1 |c:5,9| Show InChI InChI=1S/C30H25NO4/c1-3-34-29(32)26-21(2)31-28(23-15-9-5-10-16-23)27(30(33)35-24-17-11-6-12-18-24)25(26)20-19-22-13-7-4-8-14-22/h4-18,25,31H,3H2,1-2H3	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human brain adenosine A3 receptor expressed in HEK293 cells				J Med Chem 59: 788-809 (2016) BindingDB Entry DOI: 10.7270/Q25M67MM
					More data for this Ligand-Target Pair