BDBM50370307 CHEMBL4163225

SMILES: Nc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1

InChI Key: InChIKey=DATNANISPPEHNZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50370307   

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))	BDBM50370307 (CHEMBL4163225) Show SMILES Nc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C27H29N3O/c28-21-6-4-20(5-7-21)23-9-8-22-24(29-23)2-1-3-25(22)30-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19H,10-16,28H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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 7 (Homo sapiens (Human))	BDBM50370307 (CHEMBL4163225) Show SMILES Nc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C27H29N3O/c28-21-6-4-20(5-7-21)23-9-8-22-24(29-23)2-1-3-25(22)30-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19H,10-16,28H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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