Compile Data Set for Download or QSAR

Found 626 hits with Last Name = 'dong' and Initial = 'w'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524390 (CHEMBL4475619) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H28N6O4/c33-14-20-22(34)23(35)26(36-20)32-16-29-21-24(27-15-28-25(21)32)31-12-10-30(11-13-31)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,15-16,20,22-23,26,33-35H,10-14H2/t20-,22-,23-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524393 (CHEMBL4448092) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ccnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H29N5O4/c33-16-22-24(34)25(35)27(36-22)32-17-29-23-21(10-11-28-26(23)32)31-14-12-30(13-15-31)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-11,17,22,24-25,27,33-35H,12-16H2/t22-,24-,25-,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524392 (CHEMBL4475059) Show SMILES COc1ccc(cn1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C26H29N7O5/c1-37-20-7-4-17(12-27-20)16-2-5-18(6-3-16)31-8-10-32(11-9-31)24-21-25(29-14-28-24)33(15-30-21)26-23(36)22(35)19(13-34)38-26/h2-7,12,14-15,19,22-23,26,34-36H,8-11,13H2,1H3/t19-,22-,23-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524387 (CHEMBL4566815) Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H34N6O5/c1-29(2,39)20-7-3-18(4-8-20)19-5-9-21(10-6-19)33-11-13-34(14-12-33)26-23-27(31-16-30-26)35(17-32-23)28-25(38)24(37)22(15-36)40-28/h3-10,16-17,22,24-25,28,36-39H,11-15H2,1-2H3/t22-,24-,25-,28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524388 (CHEMBL4449169) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)-c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H20N4O4/c29-12-18-21(30)22(31)24(32-18)28-14-27-20-19(25-13-26-23(20)28)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-11,13-14,18,21-22,24,29-31H,12H2/t18-,21-,22-,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524389 (CHEMBL4525944) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N6O4/c28-27(29,30)18-5-1-16(2-6-18)17-3-7-19(8-4-17)34-9-11-35(12-10-34)24-21-25(32-14-31-24)36(15-33-21)26-23(39)22(38)20(13-37)40-26/h1-8,14-15,20,22-23,26,37-39H,9-13H2/t20-,22-,23-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524394 (CHEMBL4539148) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C24H26F2N8O4/c25-24(26)34-10-15(9-30-34)14-1-3-16(4-2-14)31-5-7-32(8-6-31)21-18-22(28-12-27-21)33(13-29-18)23-20(37)19(36)17(11-35)38-23/h1-4,9-10,12-13,17,19-20,23-24,35-37H,5-8,11H2/t17-,19-,20-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524383 (CHEMBL4442160) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cccc(CN2CCOCC2)c1 |r| Show InChI InChI=1S/C31H37N7O5/c39-18-25-27(40)28(41)31(43-25)38-20-34-26-29(32-19-33-30(26)38)37-10-8-36(9-11-37)24-6-4-22(5-7-24)23-3-1-2-21(16-23)17-35-12-14-42-15-13-35/h1-7,16,19-20,25,27-28,31,39-41H,8-15,17-18H2/t25-,27-,28-,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524384 (CHEMBL4458246) Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H30N6O3/c34-15-20-14-22(25(36)24(20)35)33-17-30-23-26(28-16-29-27(23)33)32-12-10-31(11-13-32)21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-9,16-17,20,22,24-25,34-36H,10-15H2/t20-,22-,24-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50375654 (CHEMBL99203 | US11633415, Compound 5-iodotubercidi...) Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of purified human adenosine kinase using varying levels of [3H]Ado as substrate in presence of adenosine deaminase inhibitor deoxycoformyc...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524385 (CHEMBL4463459) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C26H26F3N7O4/c27-26(28,29)19-6-3-16(11-30-19)15-1-4-17(5-2-15)34-7-9-35(10-8-34)23-20-24(32-13-31-23)36(14-33-20)25-22(39)21(38)18(12-37)40-25/h1-6,11,13-14,18,21-22,25,37-39H,7-10,12H2/t18-,21-,22-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524386 (CHEMBL4474951) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)C#Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H20N4O4/c29-12-19-21(30)22(31)24(32-19)28-14-27-20-18(25-13-26-23(20)28)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,13-14,19,21-22,24,29-31H,12H2/t19-,21-,22-,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50524391 (CHEMBL2042164) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50375654 (CHEMBL99203 | US11633415, Compound 5-iodotubercidi...) Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Ra ATCC 25177 adenosine kinase using varying levels of [3H]Ado as substrate in presence of adenosine deam...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Homo sapiens (Human))	BDBM50524383 (CHEMBL4442160) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cccc(CN2CCOCC2)c1 |r| Show InChI InChI=1S/C31H37N7O5/c39-18-25-27(40)28(41)31(43-25)38-20-34-26-29(32-19-33-30(26)38)37-10-8-36(9-11-37)24-6-4-22(5-7-24)23-3-1-2-21(16-23)17-35-12-14-42-15-13-35/h1-7,16,19-20,25,27-28,31,39-41H,8-15,17-18H2/t25-,27-,28-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524385 (CHEMBL4463459) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C26H26F3N7O4/c27-26(28,29)19-6-3-16(11-30-19)15-1-4-17(5-2-15)34-7-9-35(10-8-34)23-20-24(32-13-31-23)36(14-33-20)25-22(39)21(38)18(12-37)40-25/h1-6,11,13-14,18,21-22,25,37-39H,7-10,12H2/t18-,21-,22-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Ketol-acid reductoisomerase (NADP(+)) (Escherichia coli)	BDBM82145 (N-hydroxy-N-isopropyloxamate, IpOHA) Show SMILES CC(C)N(O)C(=O)C([O-])=O Show InChI InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.75E+3	-32.3	n/a	n/a	n/a	n/a	n/a	8.0	30
Nankai University					Assay Description Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...				Chem Biol Drug Des 75: 228-32 (2010) Article DOI: 10.1111/j.1747-0285.2009.00924.x BindingDB Entry DOI: 10.7270/Q2BV7F45
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524391 (CHEMBL2042164) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50174577 (CHEMBL3810334) Show SMILES Oc1c[nH]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1=O |r| Show InChI InChI=1S/C23H22N2O6/c26-20-12-18(24-13-21(20)27)15-30-22(28)19(11-16-7-3-1-4-8-16)25-23(29)31-14-17-9-5-2-6-10-17/h1-10,12-13,19,27H,11,14-15H2,(H,24,26)(H,25,29)/t19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Gongshang University Curated by ChEMBL					Assay Description Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor complex incubated for 10 mins by Lin...				Bioorg Med Chem Lett 26: 3103-8 (2016) Article DOI: 10.1016/j.bmcl.2016.05.006 BindingDB Entry DOI: 10.7270/Q2JM2CJ8
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50174577 (CHEMBL3810334) Show SMILES Oc1c[nH]c(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1=O |r| Show InChI InChI=1S/C23H22N2O6/c26-20-12-18(24-13-21(20)27)15-30-22(28)19(11-16-7-3-1-4-8-16)25-23(29)31-14-17-9-5-2-6-10-17/h1-10,12-13,19,27H,11,14-15H2,(H,24,26)(H,25,29)/t19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Gongshang University Curated by ChEMBL					Assay Description Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor complex incubated for 10 m...				Bioorg Med Chem Lett 26: 3103-8 (2016) Article DOI: 10.1016/j.bmcl.2016.05.006 BindingDB Entry DOI: 10.7270/Q2JM2CJ8
					More data for this Ligand-Target Pair
Ketol-acid reductoisomerase (NADP(+)) (Escherichia coli)	BDBM82144 (Cyclopropane, 5) Show SMILES NC(=O)C1(CC1)C(O)=O Show InChI InChI=1S/C5H7NO3/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H2,6,7)(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	3.12E+4	-26.2	n/a	n/a	n/a	n/a	n/a	8.0	30
Nankai University					Assay Description Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...				Chem Biol Drug Des 75: 228-32 (2010) Article DOI: 10.1111/j.1747-0285.2009.00924.x BindingDB Entry DOI: 10.7270/Q2BV7F45
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50174582 (CHEMBL3809975) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1 |r| Show InChI InChI=1S/C24H26N4O4/c25-19(11-16-7-3-1-4-8-16)23(31)28-20(12-17-9-5-2-6-10-17)24(32)27-14-18-13-21(29)22(30)15-26-18/h1-10,13,15,19-20,30H,11-12,14,25H2,(H,26,29)(H,27,32)(H,28,31)/t19-,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Gongshang University Curated by ChEMBL					Assay Description Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor complex incubated for 10 mins by Lin...				Bioorg Med Chem Lett 26: 3103-8 (2016) Article DOI: 10.1016/j.bmcl.2016.05.006 BindingDB Entry DOI: 10.7270/Q2JM2CJ8
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524393 (CHEMBL4448092) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ccnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H29N5O4/c33-16-22-24(34)25(35)27(36-22)32-17-29-23-21(10-11-28-26(23)32)31-14-12-30(13-15-31)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-11,17,22,24-25,27,33-35H,12-16H2/t22-,24-,25-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524389 (CHEMBL4525944) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N6O4/c28-27(29,30)18-5-1-16(2-6-18)17-3-7-19(8-4-17)34-9-11-35(12-10-34)24-21-25(32-14-31-24)36(15-33-21)26-23(39)22(38)20(13-37)40-26/h1-8,14-15,20,22-23,26,37-39H,9-13H2/t20-,22-,23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524388 (CHEMBL4449169) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)-c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H20N4O4/c29-12-18-21(30)22(31)24(32-18)28-14-27-20-19(25-13-26-23(20)28)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-11,13-14,18,21-22,24,29-31H,12H2/t18-,21-,22-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524392 (CHEMBL4475059) Show SMILES COc1ccc(cn1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C26H29N7O5/c1-37-20-7-4-17(12-27-20)16-2-5-18(6-3-16)31-8-10-32(11-9-31)24-21-25(29-14-28-24)33(15-30-21)26-23(36)22(35)19(13-34)38-26/h2-7,12,14-15,19,22-23,26,34-36H,8-11,13H2,1H3/t19-,22-,23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524386 (CHEMBL4474951) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)C#Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H20N4O4/c29-12-19-21(30)22(31)24(32-19)28-14-27-20-18(25-13-26-23(20)28)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,13-14,19,21-22,24,29-31H,12H2/t19-,21-,22-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524384 (CHEMBL4458246) Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H30N6O3/c34-15-20-14-22(25(36)24(20)35)33-17-30-23-26(28-16-29-27(23)33)32-12-10-31(11-13-32)21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-9,16-17,20,22,24-25,34-36H,10-15H2/t20-,22-,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524390 (CHEMBL4475619) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H28N6O4/c33-14-20-22(34)23(35)26(36-20)32-16-29-21-24(27-15-28-25(21)32)31-12-10-30(11-13-31)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,15-16,20,22-23,26,33-35H,10-14H2/t20-,22-,23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50524387 (CHEMBL4566815) Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H34N6O5/c1-29(2,39)20-7-3-18(4-8-20)19-5-9-21(10-6-19)33-11-13-34(14-12-33)26-23-27(31-16-30-26)35(17-32-23)28-25(38)24(37)22(15-36)40-28/h3-10,16-17,22,24-25,28,36-39H,11-15H2,1-2H3/t22-,24-,25-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...				J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 BindingDB Entry DOI: 10.7270/Q2028VZ7
					More data for this Ligand-Target Pair
Ketol-acid reductoisomerase (NADP(+)) (Escherichia coli)	BDBM82142 (Cyclopropane, 3) Show SMILES OC(=O)C1(CC1)C(O)=O Show InChI InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	7.66E+4	-23.9	n/a	n/a	n/a	n/a	n/a	8.0	30
Nankai University					Assay Description Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...				Chem Biol Drug Des 75: 228-32 (2010) Article DOI: 10.1111/j.1747-0285.2009.00924.x BindingDB Entry DOI: 10.7270/Q2BV7F45
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50174582 (CHEMBL3809975) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)c(O)c[nH]1 |r| Show InChI InChI=1S/C24H26N4O4/c25-19(11-16-7-3-1-4-8-16)23(31)28-20(12-17-9-5-2-6-10-17)24(32)27-14-18-13-21(29)22(30)15-26-18/h1-10,13,15,19-20,30H,11-12,14,25H2,(H,26,29)(H,27,32)(H,28,31)/t19-,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Gongshang University Curated by ChEMBL					Assay Description Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor complex incubated for 10 m...				Bioorg Med Chem Lett 26: 3103-8 (2016) Article DOI: 10.1016/j.bmcl.2016.05.006 BindingDB Entry DOI: 10.7270/Q2JM2CJ8
					More data for this Ligand-Target Pair
Ketol-acid reductoisomerase (NADP(+)) (Escherichia coli)	BDBM82143 (Cyclopropane, 4) Show SMILES OC(=O)C1(CC1)C#N Show InChI InChI=1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	9.53E+4	-23.3	n/a	n/a	n/a	n/a	n/a	8.0	30
Nankai University					Assay Description Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...				Chem Biol Drug Des 75: 228-32 (2010) Article DOI: 10.1111/j.1747-0285.2009.00924.x BindingDB Entry DOI: 10.7270/Q2BV7F45
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL					Assay Description Inhibition of FLT3 D835Y mutant (unknown origin)				Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002 BindingDB Entry DOI: 10.7270/Q22Z18W7
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM144315 (Gilteritinib | US11512074, Example T-9 | US8969336...) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1 Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human FLT3 (564 to 993 residues) cytoplasmic domain expressed in baculovirus expression system by ELISA				Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002 BindingDB Entry DOI: 10.7270/Q22Z18W7
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM185149 (1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...) Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL					Assay Description Inhibition of FLT3 D835H mutant (unknown origin)				Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002 BindingDB Entry DOI: 10.7270/Q22Z18W7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM144315 (Gilteritinib | US11512074, Example T-9 | US8969336...) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1 Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human AXL (464 to 885 residues) cytoplasmic domain expressed in baculovirus expression system by ELISA				Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002 BindingDB Entry DOI: 10.7270/Q22Z18W7
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50515042 (CHEMBL4593398) Show SMILES FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2CCCCc12 Show InChI InChI=1S/C18H14F3N5/c19-18(20,21)17-12(8-23-26-17)16-10-4-2-1-3-9(10)15-11-7-22-25-13(11)5-6-14(15)24-16/h5-8H,1-4H2,(H,22,25)(H,23,26)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL					Assay Description Inhibition of FLT3 D835Y mutant (unknown origin) using MBP as substrate after 3 hrs by ADP-Glo assay				Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002 BindingDB Entry DOI: 10.7270/Q22Z18W7
					More data for this Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436 (Homo sapiens (Human))	BDBM50531806 (CHEMBL4460323) Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H48N6O6S/c1-21(2)17-25(28(41)34(5)20-46-34)36-31(44)27(19-23-9-7-6-8-10-23)37-30(43)26(18-22(3)4)38-33(45)40-14-11-24(12-15-40)29(42)39-32-35-13-16-47-32/h6-10,13,16,21-22,24-27H,11-12,14-15,17-20H2,1-5H3,(H,36,44)(H,37,43)(H,38,45)(H,35,39,42)/t25-,26-,27-,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Institute of Innovative Medicine Curated by ChEMBL					Assay Description Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition				Eur J Med Chem 164: 602-614 (2019) Article DOI: 10.1016/j.ejmech.2018.12.064 BindingDB Entry DOI: 10.7270/Q2JM2F38
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50531806 (CHEMBL4460323) Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H48N6O6S/c1-21(2)17-25(28(41)34(5)20-46-34)36-31(44)27(19-23-9-7-6-8-10-23)37-30(43)26(18-22(3)4)38-33(45)40-14-11-24(12-15-40)29(42)39-32-35-13-16-47-32/h6-10,13,16,21-22,24-27H,11-12,14-15,17-20H2,1-5H3,(H,36,44)(H,37,43)(H,38,45)(H,35,39,42)/t25-,26-,27-,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Institute of Innovative Medicine Curated by ChEMBL					Assay Description Inhibition of human 20s constitutive proteasome beta5 chymotrypsin-like activity using Suc-LLVY-AMC as substrate preincubated for 15 mins followed by...				Eur J Med Chem 164: 602-614 (2019) Article DOI: 10.1016/j.ejmech.2018.12.064 BindingDB Entry DOI: 10.7270/Q2JM2F38
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50515042 (CHEMBL4593398) Show SMILES FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2CCCCc12 Show InChI InChI=1S/C18H14F3N5/c19-18(20,21)17-12(8-23-26-17)16-10-4-2-1-3-9(10)15-11-7-22-25-13(11)5-6-14(15)24-16/h5-8H,1-4H2,(H,22,25)(H,23,26)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL					Assay Description Inhibition of FLT3 ITD mutant (unknown origin) using MBP as substrate after 3 hrs by ADP-Glo assay				Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002 BindingDB Entry DOI: 10.7270/Q22Z18W7
					More data for this Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436 (Homo sapiens (Human))	BDBM50531814 (CHEMBL4517600) Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C44H55N5O7/c1-28(2)24-35(39(51)44(5)27-56-44)46-42(54)37(26-30-12-8-6-9-13-30)47-41(53)36(25-29(3)4)48-43(55)49-22-20-33(21-23-49)40(52)45-34-18-16-32(17-19-34)38(50)31-14-10-7-11-15-31/h6-19,28-29,33,35-37H,20-27H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t35-,36-,37-,44+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Institute of Innovative Medicine Curated by ChEMBL					Assay Description Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition				Eur J Med Chem 164: 602-614 (2019) Article DOI: 10.1016/j.ejmech.2018.12.064 BindingDB Entry DOI: 10.7270/Q2JM2F38
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311926 (CHEMBL1076436 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C31H30F3N9O/c1-19-7-8-22(38-29(44)20-13-21(31(32,33)34)15-23(14-20)42-11-9-41(2)10-12-42)16-25(19)40-30-39-24-5-3-4-6-26(24)43(30)28-17-27(35)36-18-37-28/h3-8,13-18H,9-12H2,1-2H3,(H,38,44)(H,39,40)(H2,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436 (Homo sapiens (Human))	BDBM50531815 (CHEMBL4444107) Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C37H50FN5O6/c1-23(2)19-29(32(44)37(5)22-49-37)40-35(47)31(21-25-9-7-6-8-10-25)41-34(46)30(20-24(3)4)42-36(48)43-17-15-26(16-18-43)33(45)39-28-13-11-27(38)12-14-28/h6-14,23-24,26,29-31H,15-22H2,1-5H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t29-,30-,31-,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Institute of Innovative Medicine Curated by ChEMBL					Assay Description Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition				Eur J Med Chem 164: 602-614 (2019) Article DOI: 10.1016/j.ejmech.2018.12.064 BindingDB Entry DOI: 10.7270/Q2JM2F38
					More data for this Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436 (Homo sapiens (Human))	BDBM50531807 (CHEMBL4541038) Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C36H50N6O6/c1-23(2)18-28(31(43)36(5)22-48-36)39-34(46)30(20-25-10-7-6-8-11-25)40-33(45)29(19-24(3)4)41-35(47)42-16-13-26(14-17-42)32(44)38-27-12-9-15-37-21-27/h6-12,15,21,23-24,26,28-30H,13-14,16-20,22H2,1-5H3,(H,38,44)(H,39,46)(H,40,45)(H,41,47)/t28-,29-,30-,36+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Institute of Innovative Medicine Curated by ChEMBL					Assay Description Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition				Eur J Med Chem 164: 602-614 (2019) Article DOI: 10.1016/j.ejmech.2018.12.064 BindingDB Entry DOI: 10.7270/Q2JM2F38
					More data for this Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436 (Homo sapiens (Human))	BDBM50531812 (CHEMBL4547405) Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C38H50N6O6S/c1-23(2)19-28(32(45)38(5)22-50-38)39-35(48)30(21-25-11-7-6-8-12-25)40-34(47)29(20-24(3)4)42-37(49)44-17-15-26(16-18-44)33(46)43-36-41-27-13-9-10-14-31(27)51-36/h6-14,23-24,26,28-30H,15-22H2,1-5H3,(H,39,48)(H,40,47)(H,42,49)(H,41,43,46)/t28-,29-,30-,38+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Institute of Innovative Medicine Curated by ChEMBL					Assay Description Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition				Eur J Med Chem 164: 602-614 (2019) Article DOI: 10.1016/j.ejmech.2018.12.064 BindingDB Entry DOI: 10.7270/Q2JM2F38
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50311921 (CHEMBL1086731 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C27H27N7OS/c1-16-9-10-17(31-25(35)21-11-12-22(36-21)27(2,3)4)13-19(16)33-26-32-18-7-5-6-8-20(18)34(26)24-14-23(28)29-15-30-24/h5-15H,1-4H3,(H,31,35)(H,32,33)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused SRC expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50311921 (CHEMBL1086731 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C27H27N7OS/c1-16-9-10-17(31-25(35)21-11-12-22(36-21)27(2,3)4)13-19(16)33-26-32-18-7-5-6-8-20(18)34(26)24-14-23(28)29-15-30-24/h5-15H,1-4H3,(H,31,35)(H,32,33)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused InsR expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311927 (CHEMBL1076437 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C32H32F3N9O/c1-3-42-10-12-43(13-11-42)24-15-21(14-22(16-24)32(33,34)35)30(45)39-23-9-8-20(2)26(17-23)41-31-40-25-6-4-5-7-27(25)44(31)29-18-28(36)37-19-38-29/h4-9,14-19H,3,10-13H2,1-2H3,(H,39,45)(H,40,41)(H2,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311921 (CHEMBL1086731 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C27H27N7OS/c1-16-9-10-17(31-25(35)21-11-12-22(36-21)27(2,3)4)13-19(16)33-26-32-18-7-5-6-8-20(18)34(26)24-14-23(28)29-15-30-24/h5-15H,1-4H3,(H,31,35)(H,32,33)(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 626 total )  |  Next  |  Last  >>

Jump to: