BDBM50412149 CHEMBL497967

SMILES: O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=ZQKFSJQXALUJCS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50412149   

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))	BDBM50412149 (CHEMBL497967) Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14| Show InChI InChI=1S/C20H23N3O/c24-19(20-10-13-7-14(11-20)9-15(8-13)12-20)23-22-18-5-1-4-17-16(18)3-2-6-21-17/h1-6,13-15,22H,7-12H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50412149 (CHEMBL497967) Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14| Show InChI InChI=1S/C20H23N3O/c24-19(20-10-13-7-14(11-20)9-15(8-13)12-20)23-22-18-5-1-4-17-16(18)3-2-6-21-17/h1-6,13-15,22H,7-12H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Activity at rat P2X7 receptor expressed in HEK cells assessed as effect on BzATP-induced ethidium uptake				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50412149 (CHEMBL497967) Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14| Show InChI InChI=1S/C20H23N3O/c24-19(20-10-13-7-14(11-20)9-15(8-13)12-20)23-22-18-5-1-4-17-16(18)3-2-6-21-17/h1-6,13-15,22H,7-12H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in differentiated human THP1 cells assessed as inhibition of benzoyl-ATP-induced IL1...				J Med Chem 51: 3030-4 (2008) Article DOI: 10.1021/jm701516f BindingDB Entry DOI: 10.7270/Q2959JR1
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50412149 (CHEMBL497967) Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14| Show InChI InChI=1S/C20H23N3O/c24-19(20-10-13-7-14(11-20)9-15(8-13)12-20)23-22-18-5-1-4-17-16(18)3-2-6-21-17/h1-6,13-15,22H,7-12H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay				J Med Chem 51: 3030-4 (2008) Article DOI: 10.1021/jm701516f BindingDB Entry DOI: 10.7270/Q2959JR1
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50412149 (CHEMBL497967) Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14| Show InChI InChI=1S/C20H23N3O/c24-19(20-10-13-7-14(11-20)9-15(8-13)12-20)23-22-18-5-1-4-17-16(18)3-2-6-21-17/h1-6,13-15,22H,7-12H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay				J Med Chem 51: 3030-4 (2008) Article DOI: 10.1021/jm701516f BindingDB Entry DOI: 10.7270/Q2959JR1
					More data for this Ligand-Target Pair