BDBM50510530 CHEMBL4449293

SMILES: C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1

InChI Key: InChIKey=DXYPZGNOLQPKSH-PQXMGZSVSA-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 = 50510530   

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 (Rattus norvegicus (Rat))	BDBM50510530 (CHEMBL4449293) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1 |r| Show InChI InChI=1S/C24H33ClN4O2/c1-16-5-4-11-24(31,13-16)15-26-23(30)22-18-6-9-21(27-20(18)8-7-19(22)25)29-12-10-17(14-29)28(2)3/h6-9,16-17,31H,4-5,10-15H2,1-3H3,(H,26,30)/t16-,17?,24+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	549	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510530 (CHEMBL4449293) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1 |r| Show InChI InChI=1S/C24H33ClN4O2/c1-16-5-4-11-24(31,13-16)15-26-23(30)22-18-6-9-21(27-20(18)8-7-19(22)25)29-12-10-17(14-29)28(2)3/h6-9,16-17,31H,4-5,10-15H2,1-3H3,(H,26,30)/t16-,17?,24+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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))	BDBM50510530 (CHEMBL4449293) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1 |r| Show InChI InChI=1S/C24H33ClN4O2/c1-16-5-4-11-24(31,13-16)15-26-23(30)22-18-6-9-21(27-20(18)8-7-19(22)25)29-12-10-17(14-29)28(2)3/h6-9,16-17,31H,4-5,10-15H2,1-3H3,(H,26,30)/t16-,17?,24+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	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 (Mus musculus)	BDBM50510530 (CHEMBL4449293) Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1 |r| Show InChI InChI=1S/C24H33ClN4O2/c1-16-5-4-11-24(31,13-16)15-26-23(30)22-18-6-9-21(27-20(18)8-7-19(22)25)29-12-10-17(14-29)28(2)3/h6-9,16-17,31H,4-5,10-15H2,1-3H3,(H,26,30)/t16-,17?,24+/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+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