BDBM50237713 CHEMBL4071699

SMILES: Fc1cccc(CN\C(NCC23CC4CC(CC(C4)C2)C3)=N\C#N)c1

InChI Key: InChIKey=MZSHJRMXIAPGID-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 = 50237713   

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))	BDBM50237713 (CHEMBL4071699) Show SMILES Fc1cccc(CN\C(NCC23CC4CC(CC(C4)C2)C3)=N\C#N)c1 |TLB:10:11:14:18.17.16,THB:19:17:14:12.20.11,19:11:14:18.17.16,16:17:12:14.15.20,16:15:12:18.19.17| Show InChI InChI=1S/C20H25FN4/c21-18-3-1-2-14(7-18)11-23-19(25-13-22)24-12-20-8-15-4-16(9-20)6-17(5-15)10-20/h1-3,7,15-17H,4-6,8-12H2,(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2				Eur J Med Chem 130: 433-439 (2017) Article DOI: 10.1016/j.ejmech.2017.02.060 BindingDB Entry DOI: 10.7270/Q2SJ1NW5
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50237713 (CHEMBL4071699) Show SMILES Fc1cccc(CN\C(NCC23CC4CC(CC(C4)C2)C3)=N\C#N)c1 |TLB:10:11:14:18.17.16,THB:19:17:14:12.20.11,19:11:14:18.17.16,16:17:12:14.15.20,16:15:12:18.19.17| Show InChI InChI=1S/C20H25FN4/c21-18-3-1-2-14(7-18)11-23-19(25-13-22)24-12-20-8-15-4-16(9-20)6-17(5-15)10-20/h1-3,7,15-17H,4-6,8-12H2,(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	708	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced YO-PRO-1 Iodide uptake measured every 30 secs for 1 ...				Eur J Med Chem 130: 433-439 (2017) Article DOI: 10.1016/j.ejmech.2017.02.060 BindingDB Entry DOI: 10.7270/Q2SJ1NW5
					More data for this Ligand-Target Pair