BDBM50110171 CHEMBL3604426

SMILES: COc1ccnc(c1)-c1nnc2CN([C@@H](C)Cn12)C(=O)c1cccc(Cl)c1Cl

InChI Key: InChIKey=MULCYNKNDJVWBS-NSHDSACASA-N

Data: 3 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 3 hits for monomerid = 50110171   

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))	BDBM50110171 (CHEMBL3604426) Show SMILES COc1ccnc(c1)-c1nnc2CN([C@@H](C)Cn12)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C19H17Cl2N5O2/c1-11-9-26-16(23-24-18(26)15-8-12(28-2)6-7-22-15)10-25(11)19(27)13-4-3-5-14(20)17(13)21/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70	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))	BDBM50110171 (CHEMBL3604426) Show SMILES COc1ccnc(c1)-c1nnc2CN([C@@H](C)Cn12)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C19H17Cl2N5O2/c1-11-9-26-16(23-24-18(26)15-8-12(28-2)6-7-22-15)10-25(11)19(27)13-4-3-5-14(20)17(13)21/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 (P2X7) (Rattus norvegicus (Rat))	BDBM50110171 (CHEMBL3604426) Show SMILES COc1ccnc(c1)-c1nnc2CN([C@@H](C)Cn12)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C19H17Cl2N5O2/c1-11-9-26-16(23-24-18(26)15-8-12(28-2)6-7-22-15)10-25(11)19(27)13-4-3-5-14(20)17(13)21/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	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