BDBM50237727 CHEMBL4060938

SMILES: N#C\N=C(/NCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1

InChI Key: InChIKey=HAIVKAIJAAUFIH-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 = 50237727   

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))	BDBM50237727 (CHEMBL4060938) Show SMILES N#C\N=C(/NCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 |TLB:5:6:9:13.12.11,THB:7:8:11:15.6.14,7:6:9.8.13:11,14:6:9:13.12.11,14:12:9:15.7.6| Show InChI InChI=1S/C19H24N4/c20-13-22-18(23-17-4-2-1-3-5-17)21-12-19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,14-16H,6-12H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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 ...				Bioorg Med Chem Lett 27: 2439-2442 (2017) Article DOI: 10.1016/j.bmcl.2017.04.005 BindingDB Entry DOI: 10.7270/Q2R49T5D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50237727 (CHEMBL4060938) Show SMILES N#C\N=C(/NCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 |TLB:5:6:9:13.12.11,THB:7:8:11:15.6.14,7:6:9.8.13:11,14:6:9:13.12.11,14:12:9:15.7.6| Show InChI InChI=1S/C19H24N4/c20-13-22-18(23-17-4-2-1-3-5-17)21-12-19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,14-16H,6-12H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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