BDBM50344737 2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(4-(2-methoxyethyl)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)benzamide::CHEMBL1779511

SMILES: COCCn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O

InChI Key: InChIKey=RBAADOGLQCDEJX-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 = 50344737   

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))	BDBM50344737 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(4-(2-...) Show SMILES COCCn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O Show InChI InChI=1S/C21H27ClN4O5/c1-31-11-10-25-18(27)13-24-26(20(25)29)15-6-7-17(22)16(12-15)19(28)23-14-21(30)8-4-2-3-5-9-21/h6-7,12-13,30H,2-5,8-11,14H2,1H3,(H,23,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL-1beta release by ELISA in presence of...				Bioorg Med Chem Lett 21: 3708-11 (2011) Article DOI: 10.1016/j.bmcl.2011.04.077 BindingDB Entry DOI: 10.7270/Q2B27VMG
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50344737 (2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(4-(2-...) Show SMILES COCCn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O Show InChI InChI=1S/C21H27ClN4O5/c1-31-11-10-25-18(27)13-24-26(20(25)29)15-6-7-17(22)16(12-15)19(28)23-14-21(30)8-4-2-3-5-9-21/h6-7,12-13,30H,2-5,8-11,14H2,1H3,(H,23,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL1-beta release by ELISA				Bioorg Med Chem Lett 21: 3708-11 (2011) Article DOI: 10.1016/j.bmcl.2011.04.077 BindingDB Entry DOI: 10.7270/Q2B27VMG
					More data for this Ligand-Target Pair