BDBM50374467 CHEMBL255536

SMILES: COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc1OC

InChI Key: InChIKey=UBYBLIILTZTSFV-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50374467   

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))	BDBM50374467 (CHEMBL255536) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C24H31N5O3/c1-16-9-7-8-10-18(16)27-23(26-15-25)29-22(24(2,3)4)28-21(30)14-17-11-12-19(31-5)20(13-17)32-6/h7-13,22H,14H2,1-6H3,(H,28,30)(H2,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50374467 (CHEMBL255536) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C24H31N5O3/c1-16-9-7-8-10-18(16)27-23(26-15-25)29-22(24(2,3)4)28-21(30)14-17-11-12-19(31-5)20(13-17)32-6/h7-13,22H,14H2,1-6H3,(H,28,30)(H2,26,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50374467 (CHEMBL255536) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C24H31N5O3/c1-16-9-7-8-10-18(16)27-23(26-15-25)29-22(24(2,3)4)28-21(30)14-17-11-12-19(31-5)20(13-17)32-6/h7-13,22H,14H2,1-6H3,(H,28,30)(H2,26,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.6	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50374467 (CHEMBL255536) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C24H31N5O3/c1-16-9-7-8-10-18(16)27-23(26-15-25)29-22(24(2,3)4)28-21(30)14-17-11-12-19(31-5)20(13-17)32-6/h7-13,22H,14H2,1-6H3,(H,28,30)(H2,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	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 (Homo sapiens (Human))	BDBM50374467 (CHEMBL255536) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C24H31N5O3/c1-16-9-7-8-10-18(16)27-23(26-15-25)29-22(24(2,3)4)28-21(30)14-17-11-12-19(31-5)20(13-17)32-6/h7-13,22H,14H2,1-6H3,(H,28,30)(H2,26,27,29)	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 (Homo sapiens (Human))	BDBM50374467 (CHEMBL255536) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C24H31N5O3/c1-16-9-7-8-10-18(16)27-23(26-15-25)29-22(24(2,3)4)28-21(30)14-17-11-12-19(31-5)20(13-17)32-6/h7-13,22H,14H2,1-6H3,(H,28,30)(H2,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	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))	BDBM50374467 (CHEMBL255536) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C24H31N5O3/c1-16-9-7-8-10-18(16)27-23(26-15-25)29-22(24(2,3)4)28-21(30)14-17-11-12-19(31-5)20(13-17)32-6/h7-13,22H,14H2,1-6H3,(H,28,30)(H2,26,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.6	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
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50374467 (CHEMBL255536) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C24H31N5O3/c1-16-9-7-8-10-18(16)27-23(26-15-25)29-22(24(2,3)4)28-21(30)14-17-11-12-19(31-5)20(13-17)32-6/h7-13,22H,14H2,1-6H3,(H,28,30)(H2,26,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	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