Compile Data Set for Download or QSAR

Found 519 hits with Last Name = 'liu' and Initial = 'xh'   

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 A2a (Homo sapiens (Human))	BDBM50585018 (CHEMBL5075422) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50079362 (CHEMBL3417009 | US9663465, 9) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jining Medical University Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human 5-HT4R membrane in Tris buffer assessed as inhibitory constant measured after 60 mins by filter binding metho...				Eur J Med Chem 169: 200-223 (2019) Article DOI: 10.1016/j.ejmech.2019.02.076 BindingDB Entry DOI: 10.7270/Q2MS3X47
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50585021 (CHEMBL5079363) Show SMILES Cc1cnc(s1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50585018 (CHEMBL5075422) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50585027 (CHEMBL5076643) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)nc1-c1ccco1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50585019 (CHEMBL5074137) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccccn1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50585021 (CHEMBL5079363) Show SMILES Cc1cnc(s1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50585027 (CHEMBL5076643) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)nc1-c1ccco1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50585019 (CHEMBL5074137) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccccn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50585020 (CHEMBL5071873) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1nccs1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50585020 (CHEMBL5071873) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1nccs1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50585022 (CHEMBL5076059) Show SMILES Cc1ccc(o1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50585027 (CHEMBL5076643) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)nc1-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50521365 (CHEMBL4543631) Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.CN(C)C1C=CC2Nc3ccc(cc3SC2=C1)N(C)C |c:12,25| Show InChI InChI=1S/C16H21N3S.2CH4O3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;2*1-5(2,3)4/h5-11,13,17H,1-4H3;2*1H3,(H,2,3,4)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jining Medical University Curated by ChEMBL					Assay Description Inhibition of tau aggregation (unknown origin) assessed as inhibitory constant				Eur J Med Chem 169: 200-223 (2019) Article DOI: 10.1016/j.ejmech.2019.02.076 BindingDB Entry DOI: 10.7270/Q2MS3X47
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50585022 (CHEMBL5076059) Show SMILES Cc1ccc(o1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	448	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50585018 (CHEMBL5075422) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	491	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50585024 (CHEMBL5091575) Show SMILES Cn1ccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	722	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50585026 (CHEMBL5074874) Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	797	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50585023 (CHEMBL5075275) Show SMILES Cc1csc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	926	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50585023 (CHEMBL5075275) Show SMILES Cc1csc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50307814 (CHEMBL4176194) Show SMILES CCC1Oc2c(Br)cc(Cl)cc2C2CC(C)=NN2C1=O |c:16| Show InChI InChI=1S/C14H14BrClN2O2/c1-3-12-14(19)18-11(4-7(2)17-18)9-5-8(16)6-10(15)13(9)20-12/h5-6,11-12H,3-4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Non-competitive inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 20 mins followed by ...				Eur J Med Chem 147: 194-204 (2018) Article DOI: 10.1016/j.ejmech.2018.02.002 BindingDB Entry DOI: 10.7270/Q2XG9TP4
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50585020 (CHEMBL5071873) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1nccs1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50585025 (CHEMBL5094593) Show SMILES Cc1cccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Ketol-acid reductoisomerase (NADP(+)) (Escherichia coli)	BDBM82145 (N-hydroxy-N-isopropyloxamate, IpOHA) Show SMILES CC(C)N(O)C(=O)C([O-])=O Show InChI InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.75E+3	-32.3	n/a	n/a	n/a	n/a	n/a	8.0	30
Nankai University					Assay Description Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...				Chem Biol Drug Des 75: 228-32 (2010) Article DOI: 10.1111/j.1747-0285.2009.00924.x BindingDB Entry DOI: 10.7270/Q2BV7F45
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50585021 (CHEMBL5079363) Show SMILES Cc1cnc(s1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50585022 (CHEMBL5076059) Show SMILES Cc1ccc(o1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50585026 (CHEMBL5074874) Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50585024 (CHEMBL5091575) Show SMILES Cn1ccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50585025 (CHEMBL5094593) Show SMILES Cc1cccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50307397 (CHEMBL4177151) Show SMILES CCC1Oc2c(Br)cc(Br)cc2C2CC(C)=NN2C1=O |c:16| Show InChI InChI=1S/C14H14Br2N2O2/c1-3-12-14(19)18-11(4-7(2)17-18)9-5-8(15)6-10(16)13(9)20-12/h5-6,11-12H,3-4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 20 mins followed by subst...				Eur J Med Chem 147: 194-204 (2018) Article DOI: 10.1016/j.ejmech.2018.02.002 BindingDB Entry DOI: 10.7270/Q2XG9TP4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50585018 (CHEMBL5075422) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	8.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Saccharomyces cerevisiae (Baker's yeast))	BDBM50144314 ((2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pe...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]=[#6]/[#6](/[#6])=[#6]/[#6]=[#6]/[#6](/[#6])=[#6]/[#6]-[#8]P([#8])(=O)[#8]P([#8])([#8])=O Show InChI InChI=1S/C15H24O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h5-11H,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b8-5+,10-6+,14-9+,15-11+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Utah Curated by ChEMBL					Assay Description Dissociation constant against yeast farnesyltransferase				Bioorg Med Chem Lett 14: 2137-40 (2004) Article DOI: 10.1016/j.bmcl.2004.02.077 BindingDB Entry DOI: 10.7270/Q2S181Z3
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50585021 (CHEMBL5079363) Show SMILES Cc1cnc(s1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50585026 (CHEMBL5074874) Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50585025 (CHEMBL5094593) Show SMILES Cc1cccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50585024 (CHEMBL5091575) Show SMILES Cn1ccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50585023 (CHEMBL5075275) Show SMILES Cc1csc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50585022 (CHEMBL5076059) Show SMILES Cc1ccc(o1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50585019 (CHEMBL5074137) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccccn1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50585026 (CHEMBL5074874) Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50585027 (CHEMBL5076643) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)nc1-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50585025 (CHEMBL5094593) Show SMILES Cc1cccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50585019 (CHEMBL5074137) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccccn1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50585020 (CHEMBL5071873) Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1nccs1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50585023 (CHEMBL5075275) Show SMILES Cc1csc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50585024 (CHEMBL5091575) Show SMILES Cn1ccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00599 BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
					More data for this Ligand-Target Pair
Ketol-acid reductoisomerase (NADP(+)) (Escherichia coli)	BDBM82144 (Cyclopropane, 5) Show SMILES NC(=O)C1(CC1)C(O)=O Show InChI InChI=1S/C5H7NO3/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H2,6,7)(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	3.12E+4	-26.2	n/a	n/a	n/a	n/a	n/a	8.0	30
Nankai University					Assay Description Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...				Chem Biol Drug Des 75: 228-32 (2010) Article DOI: 10.1111/j.1747-0285.2009.00924.x BindingDB Entry DOI: 10.7270/Q2BV7F45
					More data for this Ligand-Target Pair
Ketol-acid reductoisomerase (NADP(+)) (Escherichia coli)	BDBM82142 (Cyclopropane, 3) Show SMILES OC(=O)C1(CC1)C(O)=O Show InChI InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	7.66E+4	-23.9	n/a	n/a	n/a	n/a	n/a	8.0	30
Nankai University					Assay Description Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...				Chem Biol Drug Des 75: 228-32 (2010) Article DOI: 10.1111/j.1747-0285.2009.00924.x BindingDB Entry DOI: 10.7270/Q2BV7F45
					More data for this Ligand-Target Pair
Ketol-acid reductoisomerase (NADP(+)) (Escherichia coli)	BDBM82143 (Cyclopropane, 4) Show SMILES OC(=O)C1(CC1)C#N Show InChI InChI=1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	9.53E+4	-23.3	n/a	n/a	n/a	n/a	n/a	8.0	30
Nankai University					Assay Description Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...				Chem Biol Drug Des 75: 228-32 (2010) Article DOI: 10.1111/j.1747-0285.2009.00924.x BindingDB Entry DOI: 10.7270/Q2BV7F45
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50270029 (2-Amino-N-[(S)-3-diazo-1-(4-iodo-benzyl)-2-oxo-pro...) Show SMILES NCC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[CH-][N+]#N |r| Show InChI InChI=1S/C12H13IN4O2/c13-9-3-1-8(2-4-9)5-10(11(18)7-16-15)17-12(19)6-14/h1-4,7,10H,5-6,14H2,(H,17,19)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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