BDBM50413960 CHEMBL490117

SMILES: COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cc(C)ccc2C)C(C)(C)C)cc1OC

InChI Key: InChIKey=URSAYMJMYVDCBC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50413960   

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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50413960 (CHEMBL490117) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cc(C)ccc2C)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C25H33N5O3/c1-16-8-9-17(2)19(12-16)28-24(27-15-26)30-23(25(3,4)5)29-22(31)14-18-10-11-20(32-6)21(13-18)33-7/h8-13,23H,14H2,1-7H3,(H,29,31)(H2,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human cloned P2X7 receptor expressed in HEK293 cells assessed as inhibition of calcium flux by FLIPR assay				J Med Chem 52: 3366-76 (2009) Article DOI: 10.1021/jm8015848 BindingDB Entry DOI: 10.7270/Q2348MMG
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50413960 (CHEMBL490117) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cc(C)ccc2C)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C25H33N5O3/c1-16-8-9-17(2)19(12-16)28-24(27-15-26)30-23(25(3,4)5)29-22(31)14-18-10-11-20(32-6)21(13-18)33-7/h8-13,23H,14H2,1-7H3,(H,29,31)(H2,27,28,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat cloned P2X7 receptor expressed in HEK293 cells assessed as inhibition of calcium flux by FLIPR assay				J Med Chem 52: 3366-76 (2009) Article DOI: 10.1021/jm8015848 BindingDB Entry DOI: 10.7270/Q2348MMG
					More data for this Ligand-Target Pair