BDBM50165129 CHEMBL3799469

SMILES: COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O

InChI Key: InChIKey=VGOFKXDIEPLVHO-ZRDIBKRKSA-N

Data: 4 KI  4 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 8 hits for monomerid = 50165129   

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
5'-nucleotidase (Homo sapiens (Human))	BDBM50165129 (CHEMBL3799469) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	91	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
Ecto-5'-nucleotidase (e5'NT) (Rattus norvegicus (Rat))	BDBM50165129 (CHEMBL3799469) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	114	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
Intestinal alkaline phosphatase (Bos taurus (Cattle))	BDBM50165129 (CHEMBL3799469) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.34E+3	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
Tissue non-specific alkaline phosphatase (TNAP) (Bos taurus (Cattle))	BDBM50165129 (CHEMBL3799469) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.05E+5	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 bovine tissue non-specific alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 ...				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))	BDBM50165129 (CHEMBL3799469) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.39E+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
Tissue non-specific alkaline phosphatase (TNAP) (Bos taurus (Cattle))	BDBM50165129 (CHEMBL3799469) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.15E+5	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 bovine tissue non-specific alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 ...				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))	BDBM50165129 (CHEMBL3799469) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.81E+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))	BDBM50165129 (CHEMBL3799469) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.91E+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