Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50035968   

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
Adenosine deaminase (Bos taurus (bovine))	BDBM50012528 (5-(7-Hydroxyamino-imidazo[4,5-b]pyridin-3-yl)-2-hy...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NO)ccnc12 |r| Show InChI InChI=1S/C11H14N4O4/c16-4-8-7(17)3-9(19-8)15-5-13-10-6(14-18)1-2-12-11(10)15/h1-2,5,7-9,16-18H,3-4H2,(H,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Adenosine deaminase from calf intestine.				J Med Chem 34: 2226-30 (1991) BindingDB Entry DOI: 10.7270/Q2CZ37S1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50406548 (CHEMBL2113394) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12 |r| Show InChI InChI=1S/C11H14N4O5/c16-3-6-8(17)9(18)11(20-6)15-4-13-7-5(14-19)1-2-12-10(7)15/h1-2,4,6,8-9,11,16-19H,3H2,(H,12,14)/t6-,8-,9-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Adenosine deaminase from calf intestine.				J Med Chem 34: 2226-30 (1991) BindingDB Entry DOI: 10.7270/Q2CZ37S1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50012527 (CHEMBL3142249 | N-[3-(4-p-Tolyloxy-5-p-tolyloxymet...) Show SMILES Cc1ccc(OC[C@H]2O[C@H](C[C@@H]2Oc2ccc(C)cc2)n2cnc3c(NO)ccnc23)cc1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-3-7-18(8-4-16)31-14-22-21(32-19-9-5-17(2)6-10-19)13-23(33-22)29-15-27-24-20(28-30)11-12-26-25(24)29/h3-12,15,21-23,30H,13-14H2,1-2H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Adenosine deaminase from calf intestine.				J Med Chem 34: 2226-30 (1991) BindingDB Entry DOI: 10.7270/Q2CZ37S1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50368280 (CHEMBL612157) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NO)cc(Cl)nc12 |r| Show InChI InChI=1S/C11H13ClN4O5/c12-6-1-4(15-20)7-10(14-6)16(3-13-7)11-9(19)8(18)5(2-17)21-11/h1,3,5,8-9,11,17-20H,2H2,(H,14,15)/t5-,8-,9-,11?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Adenosine deaminase from calf intestine.				J Med Chem 34: 2226-30 (1991) BindingDB Entry DOI: 10.7270/Q2CZ37S1
					More data for this Ligand-Target Pair