Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50012981   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5'-nucleotidase (Homo sapiens (Human))	BDBM50561931 (CHEMBL4746318) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(OC(F)(F)F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561933 (CHEMBL4788305) Show SMILES CN1C(=O)C2(c3cc(OC(F)(F)F)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:27| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561936 (CHEMBL4741833) Show SMILES CN1C(=O)C2(c3ccccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:22| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561932 (CHEMBL4761451) Show SMILES CN1C(=O)C2(c3cc(F)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:23| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561938 (CHEMBL4746633) Show SMILES Cc1nn(-c2ccc(C)cc2)c2nc(c(Cl)cc12)-c1cc(C)ccc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes using AMP as substrate preincubated for 10 mins followed by sub...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561930 (CHEMBL4760778) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561931 (CHEMBL4746318) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(OC(F)(F)F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561934 (CHEMBL4753669) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(Cl)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561929 (CHEMBL4797703) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2ccccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561937 (CHEMBL4780721) Show SMILES CN1C(=O)C2(c3cc(Cl)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:23| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561935 (CHEMBL4761355) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(ccc12)[N+]([O-])=O |c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561933 (CHEMBL4788305) Show SMILES CN1C(=O)C2(c3cc(OC(F)(F)F)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:27| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561932 (CHEMBL4761451) Show SMILES CN1C(=O)C2(c3cc(F)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:23| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561930 (CHEMBL4760778) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair