BDBM50510514 CHEMBL4453695

SMILES: C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1

InChI Key: InChIKey=XWVNNGZGEXVXFB-BFIDETRKSA-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 = 50510514   

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 (Mus musculus)	BDBM50510514 (CHEMBL4453695) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1 |r| Show InChI InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye ...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510514 (CHEMBL4453695) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1 |r| Show InChI InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510514 (CHEMBL4453695) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1 |r| Show InChI InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50510514 (CHEMBL4453695) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1 |r| Show InChI InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye an...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033
					More data for this Ligand-Target Pair