Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50039877   

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
AMP deaminase 3 (Homo sapiens (Human))	BDBM50096172 (1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12 |c:4| Show InChI InChI=1S/C19H21BrN4O3/c20-16-13-4-2-1-3-12(13)11(7-14(16)19(26)27)5-6-24-10-23-17-15(25)8-21-9-22-18(17)24/h7,9-10,15,25H,1-6,8H2,(H,21,22)(H,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant AMPD3				ACS Med Chem Lett 1: 286-289 (2010) Article DOI: 10.1021/ml100092a BindingDB Entry DOI: 10.7270/Q2X0683X
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50096165 (4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(O)=O |c:4| Show InChI InChI=1S/C19H22N4O3/c24-16-9-20-10-21-18-17(16)22-11-23(18)6-5-13-8-14(19(25)26)7-12-3-1-2-4-15(12)13/h7-8,10-11,16,24H,1-6,9H2,(H,20,21)(H,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant AMPD3				ACS Med Chem Lett 1: 286-289 (2010) Article DOI: 10.1021/ml100092a BindingDB Entry DOI: 10.7270/Q2X0683X
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM50096172 (1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12 |c:4| Show InChI InChI=1S/C19H21BrN4O3/c20-16-13-4-2-1-3-12(13)11(7-14(16)19(26)27)5-6-24-10-23-17-15(25)8-21-9-22-18(17)24/h7,9-10,15,25H,1-6,8H2,(H,21,22)(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human skeletal muscle AMPD1				ACS Med Chem Lett 1: 286-289 (2010) Article DOI: 10.1021/ml100092a BindingDB Entry DOI: 10.7270/Q2X0683X
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50385586 (CHEMBL2042530) Show SMILES OC(=O)c1cc(CCc2cnc3cncnn23)c2CCCCc2c1 Show InChI InChI=1S/C18H18N4O2/c23-18(24)14-7-12-3-1-2-4-16(12)13(8-14)5-6-15-9-20-17-10-19-11-21-22(15)17/h7-11H,1-6H2,(H,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant AMPD3-1b expressed in Sf9 cells				ACS Med Chem Lett 1: 286-289 (2010) Article DOI: 10.1021/ml100092a BindingDB Entry DOI: 10.7270/Q2X0683X
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50385587 (CHEMBL2042529) Show SMILES OC(=O)c1cccc(CCc2cnc3cncnn23)c1 Show InChI InChI=1S/C14H12N4O2/c19-14(20)11-3-1-2-10(6-11)4-5-12-7-16-13-8-15-9-17-18(12)13/h1-3,6-9H,4-5H2,(H,19,20)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant AMPD3-1b expressed in Sf9 cells				ACS Med Chem Lett 1: 286-289 (2010) Article DOI: 10.1021/ml100092a BindingDB Entry DOI: 10.7270/Q2X0683X
					More data for this Ligand-Target Pair