Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Uncharacterized protein' AND taxid = 9913   

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 receptor A2 (Bos taurus)	BDBM50438367 (CHEMBL2413102) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCNC(=S)Nc4ccc(C5C6C=CC(=O)C=C6Oc6cc(O)ccc56)c(c4)C(O)=O)cc3)nc12 |r,c:45,49| Show InChI InChI=1S/C46H48N10O10S/c1-2-48-42(62)39-37(60)38(61)43(66-39)56-22-52-36-40(47)54-45(55-41(36)56)50-16-15-24-5-3-23(4-6-24)7-14-34(59)49-17-18-51-46(67)53-25-8-11-28(31(19-25)44(63)64)35-29-12-9-26(57)20-32(29)65-33-21-27(58)10-13-30(33)35/h3-6,8-13,19-22,29,35,37-39,43,58,60-61H,2,7,14-18H2,1H3,(H,48,62)(H,49,59)(H,63,64)(H2,51,53,67)(H3,47,50,54,55)/t29?,35?,37-,38+,39-,43+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine striatal membranes after 90 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 26-36 (2012) Article DOI: 10.1016/j.bmcl.2012.10.112 BindingDB Entry DOI: 10.7270/Q2XK8H03
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Bos taurus)	BDBM50487424 (CHEMBL2261733) Show SMILES O=C1CC(Cc2[nH]c(=O)c(cc12)S(=O)(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H17NO4S/c23-19-12-15(14-7-3-1-4-8-14)11-18-17(19)13-20(21(24)22-18)27(25,26)16-9-5-2-6-10-16/h1-10,13,15H,11-12H2,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in Bos taurus (bovine) cortical membrane				Citation and Details Article DOI: 10.1007/s00044-008-9100-9 BindingDB Entry DOI: 10.7270/Q2PV6P8K
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Bos taurus)	BDBM50487423 (CHEMBL2261736) Show SMILES CC(C)(C)C(=O)c1cc2C(=O)CC(Cc2[nH]c1=O)c1ccccc1 Show InChI InChI=1S/C20H21NO3/c1-20(2,3)18(23)15-11-14-16(21-19(15)24)9-13(10-17(14)22)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,21,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in Bos taurus (bovine) cortical membrane				Citation and Details Article DOI: 10.1007/s00044-008-9100-9 BindingDB Entry DOI: 10.7270/Q2PV6P8K
					More data for this Ligand-Target Pair