Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'huang' and Initial = 'my'   

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
Beta-lactamase TEM (Escherichia coli)	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O Show InChI InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAM-Bid BH3 peptide binding to recombinant human MCL1 by fluorescence polarization assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112201 BindingDB Entry DOI: 10.7270/Q26D5XMR
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O Show InChI InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAM-Bid BH3 peptide binding to recombinant human BCL2 by fluorescence polarization assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112201 BindingDB Entry DOI: 10.7270/Q26D5XMR
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O Show InChI InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAM-Bid BH3 peptide binding to recombinant human BCL-XL by fluorescence polarization assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112201 BindingDB Entry DOI: 10.7270/Q26D5XMR
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518879 (CHEMBL4450911) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C15H18BNO3S/c1-10(9-21)15(18)17-14(16(19)20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14,19-21H,9H2,1H3,(H,17,18)/t10-,14+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518902 (CHEMBL4458011) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C12H18BNO3S/c1-8-3-5-10(6-4-8)11(13(16)17)14-12(15)9(2)7-18/h3-6,9,11,16-18H,7H2,1-2H3,(H,14,15)/t9-,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518878 (CHEMBL4464588) Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)CS)B(O)O)cc1 |r| Show InChI InChI=1S/C13H20BNO4S/c1-9(8-20)13(16)15-12(14(17)18)7-10-3-5-11(19-2)6-4-10/h3-6,9,12,17-18,20H,7-8H2,1-2H3,(H,15,16)/t9-,12+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518889 (CHEMBL4560468) Show SMILES C[C@H](CS)C(=O)N[C@@H](Cc1ccc(F)cc1)B(O)O |r| Show InChI InChI=1S/C12H17BFNO3S/c1-8(7-19)12(16)15-11(13(17)18)6-9-2-4-10(14)5-3-9/h2-5,8,11,17-19H,6-7H2,1H3,(H,15,16)/t8-,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518901 (CHEMBL4468952) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccccc1 |r| Show InChI InChI=1S/C11H16BNO3S/c1-8(7-17)11(14)13-10(12(15)16)9-5-3-2-4-6-9/h2-6,8,10,15-17H,7H2,1H3,(H,13,14)/t8-,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518882 (CHEMBL4471138) Show SMILES OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CS |r| Show InChI InChI=1S/C12H14BNO4S/c15-12(7-19)14-11(13(16)17)5-8-6-18-10-4-2-1-3-9(8)10/h1-4,6,11,16-17,19H,5,7H2,(H,14,15)/t11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518890 (CHEMBL4439726) Show SMILES C[C@H](CS)C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r| Show InChI InChI=1S/C14H18BNO4S/c1-9(8-21)14(17)16-13(15(18)19)6-10-7-20-12-5-3-2-4-11(10)12/h2-5,7,9,13,18-19,21H,6,8H2,1H3,(H,16,17)/t9-,13+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518907 (CHEMBL4472399) Show SMILES C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C12H18BNO3S/c1-8-3-5-10(6-4-8)11(13(16)17)14-12(15)9(2)7-18/h3-6,9,11,16-18H,7H2,1-2H3,(H,14,15)/t9-,11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518892 (CHEMBL4453017) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C11H15BFNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,16-18H,6H2,1H3,(H,14,15)/t7-,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518895 (CHEMBL4454286) Show SMILES C[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C12H18BNO3S/c1-9(8-18)12(15)14-11(13(16)17)7-10-5-3-2-4-6-10/h2-6,9,11,16-18H,7-8H2,1H3,(H,14,15)/t9-,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518887 (CHEMBL4527309) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)CCS |r| Show InChI InChI=1S/C11H16BNO3S/c14-11(6-7-17)13-10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10,15-17H,6-8H2,(H,13,14)/t10-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518906 (CHEMBL4444728) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)CS |r| Show InChI InChI=1S/C10H14BNO3S/c13-10(7-16)12-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9,14-16H,6-7H2,(H,12,13)/t9-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518899 (CHEMBL4460555) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)NCc1ccccc1 |r| Show InChI InChI=1S/C18H23BN2O3S/c22-18(16(13-25)20-12-15-9-5-2-6-10-15)21-17(19(23)24)11-14-7-3-1-4-8-14/h1-10,16-17,20,23-25H,11-13H2,(H,21,22)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518891 (CHEMBL4460127) Show SMILES C[C@H](CS)C(=O)N[C@H](Cc1coc2ccccc12)B(O)O |r| Show InChI InChI=1S/C14H18BNO4S/c1-9(8-21)14(17)16-13(15(18)19)6-10-7-20-12-5-3-2-4-11(10)12/h2-5,7,9,13,18-19,21H,6,8H2,1H3,(H,16,17)/t9-,13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518886 (CHEMBL4471673) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)N1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C19H19BN2O5S/c23-17(21-16(20(26)27)10-12-6-2-1-3-7-12)15(11-28)22-18(24)13-8-4-5-9-14(13)19(22)25/h1-9,15-16,26-28H,10-11H2,(H,21,23)/t15-,16+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518881 (CHEMBL4455145) Show SMILES OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CCS |r| Show InChI InChI=1S/C13H16BNO4S/c16-13(5-6-20)15-12(14(17)18)7-9-8-19-11-4-2-1-3-10(9)11/h1-4,8,12,17-18,20H,5-7H2,(H,15,16)/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518884 (CHEMBL4588584) Show SMILES CCC(=O)NCB(O)O Show InChI InChI=1S/C4H10BNO3/c1-2-4(7)6-3-5(8)9/h8-9H,2-3H2,1H3,(H,6,7)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518897 (CHEMBL4450628) Show SMILES C[C@H](CS)C(=O)NCB(O)O |r| Show InChI InChI=1S/C5H12BNO3S/c1-4(2-11)5(8)7-3-6(9)10/h4,9-11H,2-3H2,1H3,(H,7,8)/t4-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518893 (CHEMBL4545947) Show SMILES C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C11H15BFNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,16-18H,6H2,1H3,(H,14,15)/t7-,10-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	6.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518896 (CHEMBL4517893) Show SMILES C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccccc1 |r| Show InChI InChI=1S/C11H16BNO3S/c1-8(7-17)11(14)13-10(12(15)16)9-5-3-2-4-6-9/h2-6,8,10,15-17H,7H2,1H3,(H,13,14)/t8-,10-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518877 (CHEMBL4546207) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](C)CS)B(O)O |r| Show InChI InChI=1S/C9H20BNO3S/c1-6(2)4-8(10(13)14)11-9(12)7(3)5-15/h6-8,13-15H,4-5H2,1-3H3,(H,11,12)/t7-,8-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518908 (CHEMBL4543432) Show SMILES COc1ccc(C[C@@H](NC(=O)[C@H](C)CS)B(O)O)cc1 |r| Show InChI InChI=1S/C13H20BNO4S/c1-9(8-20)13(16)15-12(14(17)18)7-10-3-5-11(19-2)6-4-10/h3-6,9,12,17-18,20H,7-8H2,1-2H3,(H,15,16)/t9-,12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518883 (CHEMBL4577981) Show SMILES CCCC(=O)NCB(O)O Show InChI InChI=1S/C5H12BNO3/c1-2-3-5(8)7-4-6(9)10/h9-10H,2-4H2,1H3,(H,7,8)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518885 (CHEMBL4451026) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)C(CS)Cc1ccccc1 |r| Show InChI InChI=1S/C18H22BNO3S/c21-18(16(13-24)11-14-7-3-1-4-8-14)20-17(19(22)23)12-15-9-5-2-6-10-15/h1-10,16-17,22-24H,11-13H2,(H,20,21)/t16?,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518903 (CHEMBL4445648) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)CS)B(O)O |r| Show InChI InChI=1S/C8H18BNO3S/c1-5(2)7(9(12)13)10-8(11)6(3)4-14/h5-7,12-14H,4H2,1-3H3,(H,10,11)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518905 (CHEMBL4469059) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)CS)B(O)O |r| Show InChI InChI=1S/C9H20BNO3S/c1-6(2)4-8(10(13)14)11-9(12)7(3)5-15/h6-8,13-15H,4-5H2,1-3H3,(H,11,12)/t7-,8+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.71E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518900 (CHEMBL4545274) Show SMILES C[C@H](CS)C(=O)N[C@H](Cc1ccc(F)cc1)B(O)O |r| Show InChI InChI=1S/C12H17BFNO3S/c1-8(7-19)12(16)15-11(13(17)18)6-9-2-4-10(14)5-3-9/h2-5,8,11,17-19H,6-7H2,1H3,(H,15,16)/t8-,11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518894 (CHEMBL4444926) Show SMILES C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C15H18BNO3S/c1-10(9-21)15(18)17-14(16(19)20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14,19-21H,9H2,1H3,(H,17,18)/t10-,14-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518888 (CHEMBL4466256) Show SMILES CCC(=O)N[C@@H](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C11H16BNO3/c1-2-11(14)13-10(12(15)16)8-9-6-4-3-5-7-9/h3-7,10,15-16H,2,8H2,1H3,(H,13,14)/t10-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518880 (CHEMBL4438924) Show SMILES CC(C)[C@@H](NC(=O)[C@H](C)CS)B(O)O |r| Show InChI InChI=1S/C8H18BNO3S/c1-5(2)7(9(12)13)10-8(11)6(3)4-14/h5-7,12-14H,4H2,1-3H3,(H,10,11)/t6-,7-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518909 (CHEMBL4464521) Show SMILES C[C@H](CS)C(=O)N[C@H](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C12H18BNO3S/c1-9(8-18)12(15)14-11(13(16)17)7-10-5-3-2-4-6-10/h2-6,9,11,16-18H,7-8H2,1H3,(H,14,15)/t9-,11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518898 (CHEMBL4546893) Show SMILES C[C@H](CS)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C6H11NO3S/c1-4(3-11)6(10)7-2-5(8)9/h4,11H,2-3H2,1H3,(H,7,10)(H,8,9)/t4-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518904 (CHEMBL4544829) Show SMILES CCCC(=O)N[C@@H](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C12H18BNO3/c1-2-6-12(15)14-11(13(16)17)9-10-7-4-3-5-8-10/h3-5,7-8,11,16-17H,2,6,9H2,1H3,(H,14,15)/t11-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of FLT3 by time resolved fluorescence method				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50328416 ((Z)-3-((4-(3-(dimethylamino)propoxy)-3-methylazule...) Show SMILES CN(C)CCCOc1ccccc2c(\C=C3/C(=O)Nc4ccc(F)c(F)c34)cc(C)c12 Show InChI InChI=1S/C25H24F2N2O2/c1-15-13-16(14-18-23-20(28-25(18)30)10-9-19(26)24(23)27)17-7-4-5-8-21(22(15)17)31-12-6-11-29(2)3/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,28,30)/b18-14-	PDB 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	5	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of FLT3 by time resolved fluorescence method				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal His-tagged SIRT1 (183 to 664 residues) expressed in Escherichia coli using Ac-Arg-Leu-Ile-Lys(Ac)-AMC as substrate pre...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112201 BindingDB Entry DOI: 10.7270/Q26D5XMR
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50328406 ((Z)-3-((4-(3-(dimethylamino)propoxy)-3-methylazule...) Show SMILES CN(C)CCCOc1ccccc2c(\C=C3/C(=O)Nc4ccc(F)cc34)cc(C)c12 Show InChI InChI=1S/C25H25FN2O2/c1-16-13-17(14-21-20-15-18(26)9-10-22(20)27-25(21)29)19-7-4-5-8-23(24(16)19)30-12-6-11-28(2)3/h4-5,7-10,13-15H,6,11-12H2,1-3H3,(H,27,29)/b21-14-	PDB 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	12	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of FLT3 by time resolved fluorescence method				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50328417 ((Z)-4,5-difluoro-3-((3-methyl-4-(3-morpholinopropo...) Show SMILES Cc1cc(\C=C2/C(=O)Nc3ccc(F)c(F)c23)c2ccccc(OCCCN3CCOCC3)c12 Show InChI InChI=1S/C27H26F2N2O3/c1-17-15-18(16-20-25-22(30-27(20)32)8-7-21(28)26(25)29)19-5-2-3-6-23(24(17)19)34-12-4-9-31-10-13-33-14-11-31/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,30,32)/b20-16-	PDB 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	12	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of FLT3 by time resolved fluorescence method				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50328419 ((Z)-3-((4-(3-(diethylamino)propoxy)-3-methylazulen...) Show SMILES CCN(CC)CCCOc1ccccc2c(\C=C3/C(=O)Nc4ccc(F)c(F)c34)cc(C)c12 Show InChI InChI=1S/C27H28F2N2O2/c1-4-31(5-2)13-8-14-33-23-10-7-6-9-19-18(15-17(3)24(19)23)16-20-25-22(30-27(20)32)12-11-21(28)26(25)29/h6-7,9-12,15-16H,4-5,8,13-14H2,1-3H3,(H,30,32)/b20-16-	PDB 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
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of FLT3 by time resolved fluorescence method				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of c-Kit autophosphorylation in human Kasumi-1 cells by Western blot analysis				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of FLT3 autophosphorylation in human RS4-11 cells by Western blot analysis				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta autophosphorylation by cell based western blot analysis				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50328418 ((Z)-4,5-difluoro-3-((3-methyl-4-(3-(piperidin-1-yl...) Show SMILES Cc1cc(\C=C2/C(=O)Nc3ccc(F)c(F)c23)c2ccccc(OCCCN3CCCCC3)c12 Show InChI InChI=1S/C28H28F2N2O2/c1-18-16-19(17-21-26-23(31-28(21)33)11-10-22(29)27(26)30)20-8-3-4-9-24(25(18)20)34-15-7-14-32-12-5-2-6-13-32/h3-4,8-11,16-17H,2,5-7,12-15H2,1H3,(H,31,33)/b21-17-	PDB 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	17	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of FLT3 by time resolved fluorescence method				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50328415 ((Z)-3-((4-(2-(4-(dimethylamino)piperidin-1-yl)etho...) Show SMILES CN(C)C1CCN(CCOc2ccccc3c(\C=C4/C(=O)Nc5ccc(F)cc45)cc(C)c23)CC1 Show InChI InChI=1S/C29H32FN3O2/c1-19-16-20(17-25-24-18-21(30)8-9-26(24)31-29(25)34)23-6-4-5-7-27(28(19)23)35-15-14-33-12-10-22(11-13-33)32(2)3/h4-9,16-18,22H,10-15H2,1-3H3,(H,31,34)/b25-17-	PDB 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
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of FLT3 by time resolved fluorescence method				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50328403 ((Z)-5-fluoro-3-((3-methyl-4-(2-morpholinoethoxy)az...) Show SMILES Cc1cc(\C=C2/C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCOCC3)c12 Show InChI InChI=1S/C26H25FN2O3/c1-17-14-18(15-22-21-16-19(27)6-7-23(21)28-26(22)30)20-4-2-3-5-24(25(17)20)32-13-10-29-8-11-31-12-9-29/h2-7,14-16H,8-13H2,1H3,(H,28,30)/b22-15-	PDB 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	19	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Technology Research Institute Curated by ChEMBL					Assay Description Inhibition of FLT3 by time resolved fluorescence method				Bioorg Med Chem Lett 20: 6129-32 (2010) Article DOI: 10.1016/j.bmcl.2010.08.025 BindingDB Entry DOI: 10.7270/Q2N29X51
					More data for this Ligand-Target Pair

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