BDBM50165126 CHEMBL3797319

SMILES: CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccc(OC)nn1

InChI Key: InChIKey=MKYGOBOLRVMHFB-NBVRZTHBSA-N

Data: 1 KI  1 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 = 50165126   

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
Ecto-5'-nucleotidase (e5'NT) (Rattus norvegicus (Rat))	BDBM50165126 (CHEMBL3797319) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccc(OC)nn1 Show InChI InChI=1S/C23H22N4O6S/c1-3-32-23-18(22(28)17-6-4-5-7-19(17)33-23)14-24-15-8-10-16(11-9-15)34(29,30)27-20-12-13-21(31-2)26-25-20/h4-14,23-24H,3H2,1-2H3,(H,25,27)/b18-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT) (Rattus norvegicus (Rat))	BDBM50165126 (CHEMBL3797319) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccc(OC)nn1 Show InChI InChI=1S/C23H22N4O6S/c1-3-32-23-18(22(28)17-6-4-5-7-19(17)33-23)14-24-15-8-10-16(11-9-15)34(29,30)27-20-12-13-21(31-2)26-25-20/h4-14,23-24H,3H2,1-2H3,(H,25,27)/b18-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair