BDBM50110110 CHEMBL3604331

SMILES: C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl

InChI Key: InChIKey=LKRYOMVAVRZUMD-LLVKDONJSA-N

Data: 4 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 4 hits for monomerid = 50110110   

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))	BDBM50110110 (CHEMBL3604331) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C18H15Cl2N5O/c1-11-16-22-23-17(14-7-2-3-8-21-14)25(16)10-9-24(11)18(26)12-5-4-6-13(19)15(12)20/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...				Bioorg Med Chem Lett 25: 3157-63 (2015) BindingDB Entry DOI: 10.7270/Q2BV7JD0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50110110 (CHEMBL3604331) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C18H15Cl2N5O/c1-11-16-22-23-17(14-7-2-3-8-21-14)25(16)10-9-24(11)18(26)12-5-4-6-13(19)15(12)20/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [3H]-astemizole from human ERG channel expressed in HEK293 cells by radioligand competition binding assay				Bioorg Med Chem Lett 25: 3157-63 (2015) BindingDB Entry DOI: 10.7270/Q2BV7JD0
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50110110 (CHEMBL3604331) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C18H15Cl2N5O/c1-11-16-22-23-17(14-7-2-3-8-21-14)25(16)10-9-24(11)18(26)12-5-4-6-13(19)15(12)20/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL1beta release incubated 30 mins prior to BzATP-ch...				Bioorg Med Chem Lett 25: 3157-63 (2015) BindingDB Entry DOI: 10.7270/Q2BV7JD0
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50110110 (CHEMBL3604331) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C18H15Cl2N5O/c1-11-16-22-23-17(14-7-2-3-8-21-14)25(16)10-9-24(11)18(26)12-5-4-6-13(19)15(12)20/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay				Bioorg Med Chem Lett 25: 3157-63 (2015) BindingDB Entry DOI: 10.7270/Q2BV7JD0
					More data for this Ligand-Target Pair