BDBM50165150 CHEMBL3799027

SMILES: COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O

InChI Key: InChIKey=WBZRYVWBQIFVGO-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50165150   

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))	BDBM50165150 (CHEMBL3799027) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H25NO2/c1-11-5-6-13(9-12(11)2)15-10-14-7-8-16(19(14)3)17(15)18(20)21-4/h5-6,9,14-17H,7-8,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	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
5'-nucleotidase (Homo sapiens (Human))	BDBM50165150 (CHEMBL3799027) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H25NO2/c1-11-5-6-13(9-12(11)2)15-10-14-7-8-16(19(14)3)17(15)18(20)21-4/h5-6,9,14-17H,7-8,10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	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 human 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
Intestinal alkaline phosphatase (Bos taurus (Cattle))	BDBM50165150 (CHEMBL3799027) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H25NO2/c1-11-5-6-13(9-12(11)2)15-10-14-7-8-16(19(14)3)17(15)18(20)21-4/h5-6,9,14-17H,7-8,10H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	992	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 calf intestinal alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 mins by lum...				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))	BDBM50165150 (CHEMBL3799027) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H25NO2/c1-11-5-6-13(9-12(11)2)15-10-14-7-8-16(19(14)3)17(15)18(20)21-4/h5-6,9,14-17H,7-8,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.31E+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
Intestinal alkaline phosphatase (Bos taurus (Cattle))	BDBM50165150 (CHEMBL3799027) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H25NO2/c1-11-5-6-13(9-12(11)2)15-10-14-7-8-16(19(14)3)17(15)18(20)21-4/h5-6,9,14-17H,7-8,10H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.32E+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 calf intestinal alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 mins by lum...				Eur J Med Chem 115: 484-94 (2016) BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165150 (CHEMBL3799027) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H25NO2/c1-11-5-6-13(9-12(11)2)15-10-14-7-8-16(19(14)3)17(15)18(20)21-4/h5-6,9,14-17H,7-8,10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.35E+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 human 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