null

SMILES: CCc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1

InChI Key: InChIKey=OEEJYMAIKRMZLF-UHFFFAOYSA-M

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50336790   

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
P2Y purinoceptor 4 (Homo sapiens (Human))	BDBM50336790 (CHEMBL1671993 | Sodium 1-amino-4-(3-ethylphenylami...) Show SMILES CCc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1 Show InChI InChI=1S/C22H18N2O5S/c1-2-12-6-5-7-13(10-12)24-16-11-17(30(27,28)29)20(23)19-18(16)21(25)14-8-3-4-9-15(14)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity towards human Melanocortin 1 receptor (hMC1R)				J Med Chem 60: 3020-3038 (2017) Article DOI: 10.1021/acs.jmedchem.7b00030 BindingDB Entry DOI: 10.7270/Q2G73H15
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (RAT)	BDBM50336790 (CHEMBL1671993 | Sodium 1-amino-4-(3-ethylphenylami...) Show SMILES CCc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1 Show InChI InChI=1S/C22H18N2O5S/c1-2-12-6-5-7-13(10-12)24-16-11-17(30(27,28)29)20(23)19-18(16)21(25)14-8-3-4-9-15(14)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...				J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG
					More data for this Ligand-Target Pair