Compile Data Set for Download or QSAR

Found 238 hits with Last Name = 'zhang' and Initial = 'jw'   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602759 (CHEMBL5175405) Show SMILES OCC1Cc2c(cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c12)-c1cc(ccn1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114030 BindingDB Entry DOI: 10.7270/Q2S186K7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602760 (CHEMBL5177264) Show SMILES OCC1Cc2c(cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c12)-c1cc(C=O)ccn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114030 BindingDB Entry DOI: 10.7270/Q2S186K7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50142796 (CHEMBL3759186) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142796 (CHEMBL3759186) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142857 (CHEMBL3758839) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25ClN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50142796 (CHEMBL3759186) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50142796 (CHEMBL3759186) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142898 (CHEMBL3758380) Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25FN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142845 (CHEMBL3759591) Show SMILES COc1cc2ncnc(Nc3ccccc3Br)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-15(12-20(19)31-11-7-3-2-4-10-21(28)27-29)22(25-14-24-18)26-17-9-6-5-8-16(17)23/h5-6,8-9,12-14,29H,2-4,7,10-11H2,1H3,(H,27,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142859 (CHEMBL3759261) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23ClN4O4/c1-29-18-12-17-16(11-19(18)30-10-4-2-3-5-20(27)26-28)21(24-13-23-17)25-15-8-6-14(22)7-9-15/h6-9,11-13,28H,2-5,10H2,1H3,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142838 (CHEMBL3758697) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23BrN4O4/c1-29-18-12-17-16(11-19(18)30-10-4-2-3-5-20(27)26-28)21(24-13-23-17)25-15-8-6-14(22)7-9-15/h6-9,11-13,28H,2-5,10H2,1H3,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50142796 (CHEMBL3759186) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142865 (CHEMBL3759279) Show SMILES COc1cc2ncnc(Nc3ccccc3Cl)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25ClN4O4/c1-30-19-13-18-15(12-20(19)31-11-7-3-2-4-10-21(28)27-29)22(25-14-24-18)26-17-9-6-5-8-16(17)23/h5-6,8-9,12-14,29H,2-4,7,10-11H2,1H3,(H,27,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142881 (CHEMBL3759149) Show SMILES COc1cc2ncnc(Nc3ccccc3Cl)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23ClN4O4/c1-29-18-12-17-14(11-19(18)30-10-6-2-3-9-20(27)26-28)21(24-13-23-17)25-16-8-5-4-7-15(16)22/h4-5,7-8,11-13,28H,2-3,6,9-10H2,1H3,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142899 (CHEMBL3759565) Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23FN4O4/c1-29-18-12-17-16(11-19(18)30-10-4-2-3-5-20(27)26-28)21(24-13-23-17)25-15-8-6-14(22)7-9-15/h6-9,11-13,28H,2-5,10H2,1H3,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142849 (CHEMBL3758725) Show SMILES COc1cc2ncnc(Nc3ccccc3Br)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23BrN4O4/c1-29-18-12-17-14(11-19(18)30-10-6-2-3-9-20(27)26-28)21(24-13-23-17)25-16-8-5-4-7-15(16)22/h4-5,7-8,11-13,28H,2-3,6,9-10H2,1H3,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142799 (CHEMBL3759313) Show SMILES COc1cc2ncnc(Nc3ccccc3F)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25FN4O4/c1-30-19-13-18-15(12-20(19)31-11-7-3-2-4-10-21(28)27-29)22(25-14-24-18)26-17-9-6-5-8-16(17)23/h5-6,8-9,12-14,29H,2-4,7,10-11H2,1H3,(H,27,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM223067 (5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(6-fluoroben...) Show SMILES COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2O1 |r| Show InChI InChI=1S/C32H33FN2O6/c1-38-23-7-4-20(5-8-23)28-19-27(37)31-26(36)17-24(18-30(31)40-28)39-15-3-2-12-35-13-10-21(11-14-35)32-25-9-6-22(33)16-29(25)41-34-32/h4-9,16-18,21,28,36H,2-3,10-15,19H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51.3	n/a	n/a	n/a	n/a	n/a	37
Key Laboratory for Neurodegenerative Diseases of Ministry of Education					Assay Description D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...				Chem Biol Drug Des 89: 353-364 (2017) Article DOI: 10.1111/cbdd.12843 BindingDB Entry DOI: 10.7270/Q2JW8CR0
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM21 (CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...) Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM223066 (5-Hydroxy-2-(fluorophenyl)-7-(4-(4-(2-methoxypheny...) Show SMILES COc1ccccc1N1CCN(CCCCOc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(F)cc2)CC1 |r| Show InChI InChI=1S/C30H33FN2O5/c1-36-27-7-3-2-6-24(27)33-15-13-32(14-16-33)12-4-5-17-37-23-18-25(34)30-26(35)20-28(38-29(30)19-23)21-8-10-22(31)11-9-21/h2-3,6-11,18-19,28,34H,4-5,12-17,20H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57.3	n/a	n/a	n/a	n/a	n/a	37
Key Laboratory for Neurodegenerative Diseases of Ministry of Education					Assay Description D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...				Chem Biol Drug Des 89: 353-364 (2017) Article DOI: 10.1111/cbdd.12843 BindingDB Entry DOI: 10.7270/Q2JW8CR0
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142843 (CHEMBL3758940) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCC(=O)NO Show InChI InChI=1S/C20H21BrN4O4/c1-28-17-11-16-15(10-18(17)29-9-3-2-4-19(26)25-27)20(23-12-22-16)24-14-7-5-13(21)6-8-14/h5-8,10-12,27H,2-4,9H2,1H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142843 (CHEMBL3758940) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCC(=O)NO Show InChI InChI=1S/C20H21BrN4O4/c1-28-17-11-16-15(10-18(17)29-9-3-2-4-19(26)25-27)20(23-12-22-16)24-14-7-5-13(21)6-8-14/h5-8,10-12,27H,2-4,9H2,1H3,(H,25,26)(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142851 (CHEMBL3759868) Show SMILES COc1cc2ncnc(Nc3ccccc3Br)c2cc1OCCCCC(=O)NO Show InChI InChI=1S/C20H21BrN4O4/c1-28-17-11-16-13(10-18(17)29-9-5-4-8-19(26)25-27)20(23-12-22-16)24-15-7-3-2-6-14(15)21/h2-3,6-7,10-12,27H,4-5,8-9H2,1H3,(H,25,26)(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142796 (CHEMBL3759186) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM223068 (5-Hydroxy-2-(4-fluorophenyl)-7-(4-(4-(6-fluorobenz...) Show SMILES Oc1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc2O[C@@H](CC(=O)c12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C31H30F2N2O5/c32-21-5-3-19(4-6-21)27-18-26(37)30-25(36)16-23(17-29(30)39-27)38-14-2-1-11-35-12-9-20(10-13-35)31-24-8-7-22(33)15-28(24)40-34-31/h3-8,15-17,20,27,36H,1-2,9-14,18H2/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87.7	n/a	n/a	n/a	n/a	n/a	37
Key Laboratory for Neurodegenerative Diseases of Ministry of Education					Assay Description D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...				Chem Biol Drug Des 89: 353-364 (2017) Article DOI: 10.1111/cbdd.12843 BindingDB Entry DOI: 10.7270/Q2JW8CR0
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126143 (Epacadostat | INCB-024360) Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142844 (CHEMBL3759232) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCC(=O)NO Show InChI InChI=1S/C19H19BrN4O4/c1-27-16-10-15-14(9-17(16)28-8-2-3-18(25)24-26)19(22-11-21-15)23-13-6-4-12(20)5-7-13/h4-7,9-11,26H,2-3,8H2,1H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM223070 (5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(6-fluoroben...) Show SMILES COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2O1 |r| Show InChI InChI=1S/C31H31FN2O6/c1-37-22-6-3-19(4-7-22)27-18-26(36)30-25(35)16-23(17-29(30)39-27)38-14-2-11-34-12-9-20(10-13-34)31-24-8-5-21(32)15-28(24)40-33-31/h3-8,15-17,20,27,35H,2,9-14,18H2,1H3/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	37
Key Laboratory for Neurodegenerative Diseases of Ministry of Education					Assay Description D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...				Chem Biol Drug Des 89: 353-364 (2017) Article DOI: 10.1111/cbdd.12843 BindingDB Entry DOI: 10.7270/Q2JW8CR0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142886 (CHEMBL3759853) Show SMILES COc1cc2ncnc(Nc3ccccc3Cl)c2cc1OCCCCC(=O)NO Show InChI InChI=1S/C20H21ClN4O4/c1-28-17-11-16-13(10-18(17)29-9-5-4-8-19(26)25-27)20(23-12-22-16)24-15-7-3-2-6-14(15)21/h2-3,6-7,10-12,27H,4-5,8-9H2,1H3,(H,25,26)(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142861 (CHEMBL3758489) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCCCC(=O)NO Show InChI InChI=1S/C20H21ClN4O4/c1-28-17-11-16-15(10-18(17)29-9-3-2-4-19(26)25-27)20(23-12-22-16)24-14-7-5-13(21)6-8-14/h5-8,10-12,27H,2-4,9H2,1H3,(H,25,26)(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142797 (CHEMBL3759041) Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCCC(=O)NO Show InChI InChI=1S/C20H21FN4O4/c1-28-17-11-16-15(10-18(17)29-9-3-2-4-19(26)25-27)20(23-12-22-16)24-14-7-5-13(21)6-8-14/h5-8,10-12,27H,2-4,9H2,1H3,(H,25,26)(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50142800 (CHEMBL3759111) Show SMILES COc1cc2ncnc(Nc3ccccc3F)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23FN4O4/c1-29-18-12-17-14(11-19(18)30-10-6-2-3-9-20(27)26-28)21(24-13-23-17)25-16-8-5-4-7-15(16)22/h4-5,7-8,11-13,28H,2-3,6,9-10H2,1H3,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142838 (CHEMBL3758697) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23BrN4O4/c1-29-18-12-17-16(11-19(18)30-10-4-2-3-5-20(27)26-28)21(24-13-23-17)25-15-8-6-14(22)7-9-15/h6-9,11-13,28H,2-5,10H2,1H3,(H,26,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50539489 (CHEMBL4640334) Show SMILES CCNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1 |c:13| Show InChI InChI=1S/C17H17N3O2/c1-2-18-7-5-12-10-20-16-14(21)8-13(17(22)15(12)16)11-4-3-6-19-9-11/h3-4,6,8-10,18,20H,2,5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in Escherichia coli				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126901 BindingDB Entry DOI: 10.7270/Q2F76H3W
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50414919 (CHEMBL571699) Show SMILES CN1CCN(CC1)C(=S)SSC(=S)N1CCN(C)CC1 Show InChI InChI=1S/C12H22N4S4/c1-13-3-7-15(8-4-13)11(17)19-20-12(18)16-9-5-14(2)6-10-16/h3-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142862 (CHEMBL3758229) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCCC(=O)NO Show InChI InChI=1S/C19H19ClN4O4/c1-27-16-10-15-14(9-17(16)28-8-2-3-18(25)24-26)19(22-11-21-15)23-13-6-4-12(20)5-7-13/h4-7,9-11,26H,2-3,8H2,1H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM223064 (5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(2-methoxyph...) Show SMILES COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(OCCCCN3CCN(CC3)c3ccccc3OC)cc2O1 |r| Show InChI InChI=1S/C31H36N2O6/c1-36-23-11-9-22(10-12-23)29-21-27(35)31-26(34)19-24(20-30(31)39-29)38-18-6-5-13-32-14-16-33(17-15-32)25-7-3-4-8-28(25)37-2/h3-4,7-12,19-20,29,34H,5-6,13-18,21H2,1-2H3/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	37
Key Laboratory for Neurodegenerative Diseases of Ministry of Education					Assay Description D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...				Chem Biol Drug Des 89: 353-364 (2017) Article DOI: 10.1111/cbdd.12843 BindingDB Entry DOI: 10.7270/Q2JW8CR0
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50414944 (CHEMBL121556 | NSC-402538) Show SMILES S=C(SSC(=S)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem		n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142857 (CHEMBL3758839) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25ClN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142861 (CHEMBL3758489) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCCCC(=O)NO Show InChI InChI=1S/C20H21ClN4O4/c1-28-17-11-16-15(10-18(17)29-9-3-2-4-19(26)25-27)20(23-12-22-16)24-14-7-5-13(21)6-8-14/h5-8,10-12,27H,2-4,9H2,1H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM223069 (5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(2-methoxyph...) Show SMILES COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(OCCCN3CCN(CC3)c3ccccc3OC)cc2O1 |r| Show InChI InChI=1S/C30H34N2O6/c1-35-22-10-8-21(9-11-22)28-20-26(34)30-25(33)18-23(19-29(30)38-28)37-17-5-12-31-13-15-32(16-14-31)24-6-3-4-7-27(24)36-2/h3-4,6-11,18-19,28,33H,5,12-17,20H2,1-2H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	37
Key Laboratory for Neurodegenerative Diseases of Ministry of Education					Assay Description D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...				Chem Biol Drug Des 89: 353-364 (2017) Article DOI: 10.1111/cbdd.12843 BindingDB Entry DOI: 10.7270/Q2JW8CR0
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142898 (CHEMBL3758380) Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25FN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142859 (CHEMBL3759261) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23ClN4O4/c1-29-18-12-17-16(11-19(18)30-10-4-2-3-5-20(27)26-28)21(24-13-23-17)25-15-8-6-14(22)7-9-15/h6-9,11-13,28H,2-5,10H2,1H3,(H,26,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50414943 (CHEMBL573920) Show SMILES S=C(SSC(=S)N1CCSCC1)N1CCSCC1 Show InChI InChI=1S/C10H16N2S6/c13-9(11-1-5-15-6-2-11)17-18-10(14)12-3-7-16-8-4-12/h1-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem		n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM223065 (5-Hydroxy-2-(4-methylphenyl)-7-(4-(4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCCOc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(C)cc2)CC1 |r| Show InChI InChI=1S/C31H36N2O5/c1-22-9-11-23(12-10-22)29-21-27(35)31-26(34)19-24(20-30(31)38-29)37-18-6-5-13-32-14-16-33(17-15-32)25-7-3-4-8-28(25)36-2/h3-4,7-12,19-20,29,34H,5-6,13-18,21H2,1-2H3/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	346	n/a	n/a	n/a	n/a	n/a	37
Key Laboratory for Neurodegenerative Diseases of Ministry of Education					Assay Description D2 receptor/G protein α16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded ...				Chem Biol Drug Des 89: 353-364 (2017) Article DOI: 10.1111/cbdd.12843 BindingDB Entry DOI: 10.7270/Q2JW8CR0
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50607964 (CHEMBL5280698) Show SMILES S=C(Nc1ccccc1)SSC(=S)Nc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142865 (CHEMBL3759279) Show SMILES COc1cc2ncnc(Nc3ccccc3Cl)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C22H25ClN4O4/c1-30-19-13-18-15(12-20(19)31-11-7-3-2-4-10-21(28)27-29)22(25-14-24-18)26-17-9-6-5-8-16(17)23/h5-6,8-9,12-14,29H,2-4,7,10-11H2,1H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	364	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50142798 (CHEMBL3759798) Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCC(=O)NO Show InChI InChI=1S/C19H19FN4O4/c1-27-16-10-15-14(9-17(16)28-8-2-3-18(25)24-26)19(22-11-21-15)23-13-6-4-12(20)5-7-13/h4-7,9-11,26H,2-3,8H2,1H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	376	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...				Eur J Med Chem 109: 1-12 (2016) Article DOI: 10.1016/j.ejmech.2015.12.033 BindingDB Entry DOI: 10.7270/Q2377BJX
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50414937 (CHEMBL583524) Show SMILES S=C(SSC(=S)N1CCc2ccccc2C1)N1CCc2ccccc2C1 Show InChI InChI=1S/C20H20N2S4/c23-19(21-11-9-15-5-1-3-7-17(15)13-21)25-26-20(24)22-12-10-16-6-2-4-8-18(16)14-22/h1-8H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem		n/a	n/a	380	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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