Compile Data Set for Download or QSAR

Found 173 hits with Last Name = 'yue' and Initial = 'x'   

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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108979 (CHEMBL3597316) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCOCCF)cc1 |r| Show InChI InChI=1S/C26H32FNO4/c27-11-14-31-15-16-32-23-7-5-19(6-8-23)26(30)20-9-12-28(13-10-20)24-17-21-3-1-2-4-22(21)18-25(24)29/h1-8,20,24-25,29H,9-18H2/t24-,25-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108980 (CHEMBL3597317) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCOCCOCCF)cc1 |r| Show InChI InChI=1S/C28H36FNO5/c29-11-14-33-15-16-34-17-18-35-25-7-5-21(6-8-25)28(32)22-9-12-30(13-10-22)26-19-23-3-1-2-4-24(23)20-27(26)31/h1-8,22,26-27,31H,9-20H2/t26-,27-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108983 (CHEMBL3597320) Show SMILES O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2/t21-,22-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108978 (CHEMBL3597315) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCF)cc1 |r| Show InChI InChI=1S/C24H28FNO3/c25-11-14-29-21-7-5-17(6-8-21)24(28)18-9-12-26(13-10-18)22-15-19-3-1-2-4-20(19)16-23(22)27/h1-8,18,22-23,27H,9-16H2/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108986 (CHEMBL3597324) Show SMILES O[C@@H]1Cc2cccc(C(=O)c3ccc(F)cc3)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C28H28FNO2/c29-23-11-9-21(10-12-23)28(32)24-8-4-7-22-17-27(31)26(18-25(22)24)30-15-13-20(14-16-30)19-5-2-1-3-6-19/h1-12,20,26-27,31H,13-18H2/t26-,27-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108981 (CHEMBL3597318) Show SMILES O[C@@H]1Cc2cccc(O)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO3/c23-17-6-4-14(5-7-17)22(27)15-8-10-24(11-9-15)19-13-18-16(12-21(19)26)2-1-3-20(18)25/h1-7,15,19,21,25-26H,8-13H2/t19-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108984 (CHEMBL3597321) Show SMILES OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108984 (CHEMBL3597321) Show SMILES OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108978 (CHEMBL3597315) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCF)cc1 |r| Show InChI InChI=1S/C24H28FNO3/c25-11-14-29-21-7-5-17(6-8-21)24(28)18-9-12-26(13-10-18)22-15-19-3-1-2-4-20(19)16-23(22)27/h1-8,18,22-23,27H,9-16H2/t22-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50018094 ((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108982 (CHEMBL3597319) Show SMILES O[C@@H]1Cc2c(O)cccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO3/c23-17-6-4-14(5-7-17)22(27)15-8-10-24(11-9-15)19-12-16-2-1-3-20(25)18(16)13-21(19)26/h1-7,15,19,21,25-26H,8-13H2/t19-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108982 (CHEMBL3597319) Show SMILES O[C@@H]1Cc2c(O)cccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO3/c23-17-6-4-14(5-7-17)22(27)15-8-10-24(11-9-15)19-12-16-2-1-3-20(25)18(16)13-21(19)26/h1-7,15,19,21,25-26H,8-13H2/t19-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50018094 ((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50108985 (CHEMBL3597322) Show SMILES O[C@@H]1Cc2c(C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)cccc2OCCF |r| Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-21(22(28)15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2/t21-,22-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108986 (CHEMBL3597324) Show SMILES O[C@@H]1Cc2cccc(C(=O)c3ccc(F)cc3)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C28H28FNO2/c29-23-11-9-21(10-12-23)28(32)24-8-4-7-22-17-27(31)26(18-25(22)24)30-15-13-20(14-16-30)19-5-2-1-3-6-19/h1-12,20,26-27,31H,13-18H2/t26-,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108983 (CHEMBL3597320) Show SMILES O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2/t21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	821	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108979 (CHEMBL3597316) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCOCCF)cc1 |r| Show InChI InChI=1S/C26H32FNO4/c27-11-14-31-15-16-32-23-7-5-19(6-8-23)26(30)20-9-12-28(13-10-20)24-17-21-3-1-2-4-22(21)18-25(24)29/h1-8,20,24-25,29H,9-18H2/t24-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108981 (CHEMBL3597318) Show SMILES O[C@@H]1Cc2cccc(O)c2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO3/c23-17-6-4-14(5-7-17)22(27)15-8-10-24(11-9-15)19-13-18-16(12-21(19)26)2-1-3-20(18)25/h1-7,15,19,21,25-26H,8-13H2/t19-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108980 (CHEMBL3597317) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCOCCOCCF)cc1 |r| Show InChI InChI=1S/C28H36FNO5/c29-11-14-33-15-16-34-17-18-35-25-7-5-21(6-8-25)28(32)22-9-12-30(13-10-22)26-19-23-3-1-2-4-24(23)20-27(26)31/h1-8,22,26-27,31H,9-20H2/t26-,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108984 (CHEMBL3597321) Show SMILES OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108984 (CHEMBL3597321) Show SMILES OC1Cc2cccc(OCCF)c2CC1N1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-22(28)21(15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108985 (CHEMBL3597322) Show SMILES O[C@@H]1Cc2c(C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)cccc2OCCF |r| Show InChI InChI=1S/C24H27F2NO3/c25-10-13-30-23-3-1-2-18-14-21(22(28)15-20(18)23)27-11-8-17(9-12-27)24(29)16-4-6-19(26)7-5-16/h1-7,17,21-22,28H,8-15H2/t21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates				Bioorg Med Chem 23: 4699-709 (2015) Article DOI: 10.1016/j.bmc.2015.05.058 BindingDB Entry DOI: 10.7270/Q2FQ9ZCT
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 146: 368-380 (2018) Article DOI: 10.1016/j.ejmech.2018.01.061 BindingDB Entry DOI: 10.7270/Q2BP059Q
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50210697 (CHEMBL3962233) Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H33Cl2N7O3/c1-38-11-13-39(14-12-38)10-3-15-42-28-18-26-23(17-27(28)41-2)29(34-19-33-26)35-22-8-9-25(24(32)16-22)37-30(40)36-21-6-4-20(31)5-7-21/h4-9,16-19H,3,10-15H2,1-2H3,(H,33,34,35)(H2,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50210747 (CHEMBL3968039) Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C32H38ClN7O3/c1-21-6-7-23(16-22(21)2)37-32(41)38-27-9-8-24(17-26(27)33)36-31-25-18-29(42-4)30(19-28(25)34-20-35-31)43-15-5-10-40-13-11-39(3)12-14-40/h6-9,16-20H,5,10-15H2,1-4H3,(H,34,35,36)(H2,37,38,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
					More data for this Ligand-Target Pair
Macrophage-stimulating protein receptor (Homo sapiens (Human))	BDBM50507551 (CHEMBL4587222) Show SMILES CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(SCC5=O)c5c(F)cccc5F)cc4F)c3cc2OC)CC1 Show InChI InChI=1S/C35H36F4N6O5S/c1-3-43-11-13-44(14-12-43)10-5-15-49-30-19-27-22(18-29(30)48-2)28(8-9-40-27)50-33-25(38)16-21(17-26(33)39)41-35(47)42-45-31(46)20-51-34(45)32-23(36)6-4-7-24(32)37/h4,6-9,16-19,34H,3,5,10-15,20H2,1-2H3,(H2,41,42,47)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of Ron (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay				Eur J Med Chem 163: 10-27 (2019) Article DOI: 10.1016/j.ejmech.2018.11.057 BindingDB Entry DOI: 10.7270/Q2T156XW
					More data for this Ligand-Target Pair
Macrophage-stimulating protein receptor (Homo sapiens (Human))	BDBM50297394 (CHEMBL4171115) Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1 Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of Ron (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 146: 368-380 (2018) Article DOI: 10.1016/j.ejmech.2018.01.061 BindingDB Entry DOI: 10.7270/Q2BP059Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of purified ALK (unknown origin) after 60 mins by ELISA kinase assay				Eur J Med Chem 86: 438-48 (2014) Article DOI: 10.1016/j.ejmech.2014.09.003 BindingDB Entry DOI: 10.7270/Q2G73GBS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50523921 (CHEMBL4446992) Show SMILES COc1cc2c(Oc3ccc(cc3F)C3SCC(=O)N3NC(=O)Nc3ccc(F)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C34H35F3N6O5S/c1-41-11-13-42(14-12-41)10-3-15-47-31-19-27-23(18-30(31)46-2)28(8-9-38-27)48-29-7-4-21(16-25(29)37)33-43(32(44)20-49-33)40-34(45)39-26-6-5-22(35)17-24(26)36/h4-9,16-19,33H,3,10-15,20H2,1-2H3,(H2,39,40,45)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins by mobility shift assay				Bioorg Med Chem 27: 2127-2139 (2019) Article DOI: 10.1016/j.bmc.2019.03.049 BindingDB Entry DOI: 10.7270/Q27P92TP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of AXL (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 146: 368-380 (2018) Article DOI: 10.1016/j.ejmech.2018.01.061 BindingDB Entry DOI: 10.7270/Q2BP059Q
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (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 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	11	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50025759 (CHEMBL3330859) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CCc3s2)C(=O)C2CCOCC2)ncc1Cl Show InChI InChI=1S/C26H31ClN6O4S2/c1-16(2)39(35,36)22-6-4-3-5-20(22)29-23-18(27)15-28-25(31-23)32-26-30-19-7-11-33(12-8-21(19)38-26)24(34)17-9-13-37-14-10-17/h3-6,15-17H,7-14H2,1-2H3,(H2,28,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of purified ALK (unknown origin) after 60 mins by ELISA kinase assay				Eur J Med Chem 86: 438-48 (2014) Article DOI: 10.1016/j.ejmech.2014.09.003 BindingDB Entry DOI: 10.7270/Q2G73GBS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50210748 (CHEMBL3920551) Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C31H35ClN6O4/c1-20-5-6-22(15-21(20)2)36-31(39)37-26-8-7-23(16-25(26)32)35-30-24-17-28(40-3)29(18-27(24)33-19-34-30)42-12-4-9-38-10-13-41-14-11-38/h5-8,15-19H,4,9-14H2,1-3H3,(H,33,34,35)(H2,36,37,39)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50210705 (CHEMBL3979264) Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccccc4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H34ClN7O3/c1-37-12-14-38(15-13-37)11-6-16-41-28-19-26-23(18-27(28)40-2)29(33-20-32-26)34-22-9-10-25(24(31)17-22)36-30(39)35-21-7-4-3-5-8-21/h3-5,7-10,17-20H,6,11-16H2,1-2H3,(H,32,33,34)(H2,35,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50210695 (CHEMBL3929448) Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H32Cl2FN7O3/c1-39-9-11-40(12-10-39)8-3-13-43-28-17-26-21(16-27(28)42-2)29(35-18-34-26)36-19-5-7-25(23(32)15-19)38-30(41)37-20-4-6-24(33)22(31)14-20/h4-7,14-18H,3,8-13H2,1-2H3,(H,34,35,36)(H2,37,38,41)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
					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	15	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50210752 (CHEMBL3938494) Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccccc4C)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H36ClN7O3/c1-21-7-4-5-8-25(21)36-31(40)37-26-10-9-22(17-24(26)32)35-30-23-18-28(41-3)29(19-27(23)33-20-34-30)42-16-6-11-39-14-12-38(2)13-15-39/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,33,34,35)(H2,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50507551 (CHEMBL4587222) Show SMILES CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(SCC5=O)c5c(F)cccc5F)cc4F)c3cc2OC)CC1 Show InChI InChI=1S/C35H36F4N6O5S/c1-3-43-11-13-44(14-12-43)10-5-15-49-30-19-27-22(18-29(30)48-2)28(8-9-40-27)50-33-25(38)16-21(17-26(33)39)41-35(47)42-45-31(46)20-51-34(45)32-23(36)6-4-7-24(32)37/h4,6-9,16-19,34H,3,5,10-15,20H2,1-2H3,(H2,41,42,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay				Eur J Med Chem 163: 10-27 (2019) Article DOI: 10.1016/j.ejmech.2018.11.057 BindingDB Entry DOI: 10.7270/Q2T156XW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50210701 (CHEMBL3957025) Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C29H30Cl2N6O4/c1-39-26-16-22-25(17-27(26)41-12-2-9-37-10-13-40-14-11-37)32-18-33-28(22)34-21-7-8-24(23(31)15-21)36-29(38)35-20-5-3-19(30)4-6-20/h3-8,15-18H,2,9-14H2,1H3,(H,32,33,34)(H2,35,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50025760 (CHEMBL3330858) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CC4CCOCC4)CCc3s2)ncc1Cl Show InChI InChI=1S/C26H33ClN6O3S2/c1-17(2)38(34,35)23-6-4-3-5-21(23)29-24-19(27)15-28-25(31-24)32-26-30-20-7-11-33(12-8-22(20)37-26)16-18-9-13-36-14-10-18/h3-6,15,17-18H,7-14,16H2,1-2H3,(H2,28,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of purified ALK (unknown origin) after 60 mins by ELISA kinase assay				Eur J Med Chem 86: 438-48 (2014) Article DOI: 10.1016/j.ejmech.2014.09.003 BindingDB Entry DOI: 10.7270/Q2G73GBS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50210698 (CHEMBL3939588) Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCN1CCCCC1 Show InChI InChI=1S/C31H35ClN6O3/c1-20-7-8-22(15-21(20)2)36-31(39)37-26-10-9-23(16-25(26)32)35-30-24-17-28(40-3)29(18-27(24)33-19-34-30)41-14-13-38-11-5-4-6-12-38/h7-10,15-19H,4-6,11-14H2,1-3H3,(H,33,34,35)(H2,36,37,39)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins by mobility shift assay				Bioorg Med Chem 27: 2127-2139 (2019) Article DOI: 10.1016/j.bmc.2019.03.049 BindingDB Entry DOI: 10.7270/Q27P92TP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50523921 (CHEMBL4446992) Show SMILES COc1cc2c(Oc3ccc(cc3F)C3SCC(=O)N3NC(=O)Nc3ccc(F)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C34H35F3N6O5S/c1-41-11-13-42(14-12-41)10-3-15-47-31-19-27-23(18-30(31)46-2)28(8-9-38-27)48-29-7-4-21(16-25(29)37)33-43(32(44)20-49-33)40-34(45)39-26-6-5-22(35)17-24(26)36/h4-9,16-19,33H,3,10-15,20H2,1-2H3,(H2,39,40,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins by mobility shift assay				Bioorg Med Chem 27: 2127-2139 (2019) Article DOI: 10.1016/j.bmc.2019.03.049 BindingDB Entry DOI: 10.7270/Q27P92TP
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 146: 368-380 (2018) Article DOI: 10.1016/j.ejmech.2018.01.061 BindingDB Entry DOI: 10.7270/Q2BP059Q
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50025779 (CHEMBL3330850) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2nc3CCNCCc3s2)ncc1Cl Show InChI InChI=1S/C19H20ClN7OS/c1-21-17(28)11-4-2-3-5-13(11)24-16-12(20)10-23-18(26-16)27-19-25-14-6-8-22-9-7-15(14)29-19/h2-5,10,22H,6-9H2,1H3,(H,21,28)(H2,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of purified c-MET (unknown origin) after 60 mins by ELISA kinase assay				Eur J Med Chem 86: 438-48 (2014) Article DOI: 10.1016/j.ejmech.2014.09.003 BindingDB Entry DOI: 10.7270/Q2G73GBS
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50297394 (CHEMBL4171115) Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1 Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 146: 368-380 (2018) Article DOI: 10.1016/j.ejmech.2018.01.061 BindingDB Entry DOI: 10.7270/Q2BP059Q
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50297394 (CHEMBL4171115) Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1 Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 146: 368-380 (2018) Article DOI: 10.1016/j.ejmech.2018.01.061 BindingDB Entry DOI: 10.7270/Q2BP059Q
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50297394 (CHEMBL4171115) Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1 Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-26(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-27(21)46-20-8-9-25(24(36)16-20)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+]				Eur J Med Chem 146: 368-380 (2018) Article DOI: 10.1016/j.ejmech.2018.01.061 BindingDB Entry DOI: 10.7270/Q2BP059Q
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50297565 (CHEMBL4160512) Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)cc3F)ccnc2cc1OCCCN1CCCC1 Show InChI InChI=1S/C33H32F3N5O5S/c1-44-28-17-21-25(18-29(28)45-15-5-14-40-12-2-3-13-40)37-11-10-26(21)46-27-9-8-20(16-24(27)36)38-33(43)39-41-30(42)19-47-32(41)31-22(34)6-4-7-23(31)35/h4,6-11,16-18,32H,2-3,5,12-15,19H2,1H3,(H2,38,39,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutant				Eur J Med Chem 146: 368-380 (2018) Article DOI: 10.1016/j.ejmech.2018.01.061 BindingDB Entry DOI: 10.7270/Q2BP059Q
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50297346 (CHEMBL4167741) Show SMILES COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)cc3)ccnc2cc1OCCCN1CCCC1 Show InChI InChI=1S/C33H33F2N5O5S/c1-43-28-18-23-26(19-29(28)44-17-5-16-39-14-2-3-15-39)36-13-12-27(23)45-22-10-8-21(9-11-22)37-33(42)38-40-30(41)20-46-32(40)31-24(34)6-4-7-25(31)35/h4,6-13,18-19,32H,2-3,5,14-17,20H2,1H3,(H2,37,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Zhuhai Campus of Zunyi Medical University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA				Eur J Med Chem 146: 368-380 (2018) Article DOI: 10.1016/j.ejmech.2018.01.061 BindingDB Entry DOI: 10.7270/Q2BP059Q
					More data for this Ligand-Target Pair

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