BDBM50370238 CHEMBL4159276

SMILES: COc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1

InChI Key: InChIKey=PHFCELLDNIZFRA-UHFFFAOYSA-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 = 50370238   

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))	BDBM50370238 (CHEMBL4159276) Show SMILES COc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C28H30N2O2/c1-32-22-7-5-21(6-8-22)24-10-9-23-25(29-24)3-2-4-26(23)30-27(31)17-28-14-18-11-19(15-28)13-20(12-18)16-28/h2-10,18-20H,11-17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50370238 (CHEMBL4159276) Show SMILES COc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C28H30N2O2/c1-32-22-7-5-21(6-8-22)24-10-9-23-25(29-24)3-2-4-26(23)30-27(31)17-28-14-18-11-19(15-28)13-20(12-18)16-28/h2-10,18-20H,11-17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 s...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370238 (CHEMBL4159276) Show SMILES COc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C28H30N2O2/c1-32-22-7-5-21(6-8-22)24-10-9-23-25(29-24)3-2-4-26(23)30-27(31)17-28-14-18-11-19(15-28)13-20(12-18)16-28/h2-10,18-20H,11-17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair