BDBM50352059 CHEMBL1824026

SMILES: Cc1cc(nn1C[C@@H](O)CN)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1

InChI Key: InChIKey=YZDZFELRGNTLSQ-KRWDZBQOSA-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 = 50352059   

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))	BDBM50352059 (CHEMBL1824026) Show SMILES Cc1cc(nn1C[C@@H](O)CN)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 |r| Show InChI InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7R expressed in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL-1beta release				Bioorg Med Chem Lett 21: 5475-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.117 BindingDB Entry DOI: 10.7270/Q2PC32RF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50352059 (CHEMBL1824026) Show SMILES Cc1cc(nn1C[C@@H](O)CN)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 |r| Show InChI InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...				Bioorg Med Chem Lett 21: 5475-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.117 BindingDB Entry DOI: 10.7270/Q2PC32RF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50352059 (CHEMBL1824026) Show SMILES Cc1cc(nn1C[C@@H](O)CN)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 |r| Show InChI InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 21: 5475-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.117 BindingDB Entry DOI: 10.7270/Q2PC32RF
					More data for this Ligand-Target Pair