Compile Data Set for Download or QSAR

Found 643 hits with Last Name = 'fukuda' and Initial = 'k'   

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
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337114 (2'-((1R)-1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337116 (2'-((1R)-1-{(2R)-3-[2-methyl-1-(naphthalen-2-yl)pr...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C33H37NO4/c1-22-17-27(15-16-29(22)32(36)37)31-12-8-7-11-30(31)23(2)38-21-28(35)20-34-33(3,4)19-24-13-14-25-9-5-6-10-26(25)18-24/h5-18,23,28,34-35H,19-21H2,1-4H3,(H,36,37)/t23-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337113 ((RS)-2'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...) Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337103 (2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337112 ((RS)-3'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...) Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(c1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(27-9-6-10-29(18-27)25-13-15-26(16-14-25)31(35)36)37-21-30(34)20-33-32(2,3)19-23-11-12-24-7-4-5-8-28(24)17-23/h4-18,22,30,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,30-/m1/s1	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337105 ((R)-1-((R)-cyclopropyl(2-(hydroxymethyl)phenyl)met...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](C1CC1)c1ccccc1CO |r| Show InChI InChI=1S/C28H35NO3/c1-28(2,16-20-11-12-21-7-3-4-8-23(21)15-20)29-17-25(31)19-32-27(22-13-14-22)26-10-6-5-9-24(26)18-30/h3-12,15,22,25,27,29-31H,13-14,16-19H2,1-2H3/t25-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337115 (2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C28H31ClFNO4/c1-18(23-6-4-5-7-24(23)20-9-11-21(12-10-20)27(33)34)35-17-22(32)16-31-28(2,3)15-19-8-13-25(29)26(30)14-19/h4-14,18,22,31-32H,15-17H2,1-3H3,(H,33,34)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50320009 ((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...) Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r| Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337104 (3-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CCC(O)=O |r| Show InChI InChI=1S/C28H35NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-13,16,20,25,29-30H,14-15,17-19H2,1-3H3,(H,31,32)/t20-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283464 (CHEMBL4162764) Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cn1)C(=O)c1c[nH]c(=O)c(c1)-c1cccc(c1)C#N |r| Show InChI InChI=1S/C29H21BrClN5O3/c30-22-6-9-25(33-16-22)29(39)36-11-10-35(17-26(36)19-4-7-23(31)8-5-19)28(38)21-13-24(27(37)34-15-21)20-3-1-2-18(12-20)14-32/h1-9,12-13,15-16,26H,10-11,17H2,(H,34,37)/t26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283443 (CHEMBL4170030) Show SMILES Cn1cc(cc(-c2cccc(c2)C#N)c1=O)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C30H23BrClN5O3/c1-35-17-22(14-25(29(35)39)21-4-2-3-19(13-21)15-33)28(38)36-11-12-37(30(40)26-10-7-23(31)16-34-26)27(18-36)20-5-8-24(32)9-6-20/h2-10,13-14,16-17,27H,11-12,18H2,1H3/t27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM65493 (eIF4A3 inhibitor, 2) Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r| Show InChI InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283445 (CHEMBL4175313) Show SMILES FC(F)(F)c1cccc(c1)-c1cc(cn(-c2ccccc2)c1=O)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C35H25BrClF3N4O3/c36-26-11-14-30(41-19-26)34(47)43-16-15-42(21-31(43)22-9-12-27(37)13-10-22)32(45)24-18-29(23-5-4-6-25(17-23)35(38,39)40)33(46)44(20-24)28-7-2-1-3-8-28/h1-14,17-20,31H,15-16,21H2/t31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283462 (CHEMBL4176393) Show SMILES Clc1ccc(cc1)C1CN(CCN1C(=O)c1ccc(Cl)cc1)C(=O)c1c[nH]c(=O)c(c1)-c1cccc(c1)C#N Show InChI InChI=1S/C30H22Cl2N4O3/c31-24-8-4-20(5-9-24)27-18-35(12-13-36(27)30(39)21-6-10-25(32)11-7-21)29(38)23-15-26(28(37)34-17-23)22-3-1-2-19(14-22)16-33/h1-11,14-15,17,27H,12-13,18H2,(H,34,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283465 (CHEMBL4168783) Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cn1)C(=O)c1cnn2cc(Br)ccc12 |r| Show InChI InChI=1S/C24H18Br2ClN5O2/c25-16-3-7-20(28-11-16)24(34)31-10-9-30(14-22(31)15-1-5-18(27)6-2-15)23(33)19-12-29-32-13-17(26)4-8-21(19)32/h1-8,11-13,22H,9-10,14H2/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283444 (CHEMBL4173010) Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1c[nH]c(=O)c2ccccc12 |r| Show InChI InChI=1S/C27H21BrClN3O3/c28-19-9-5-18(6-10-19)26(34)32-14-13-31(16-24(32)17-7-11-20(29)12-8-17)27(35)23-15-30-25(33)22-4-2-1-3-21(22)23/h1-12,15,24H,13-14,16H2,(H,30,33)/t24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283442 (CHEMBL4172770) Show SMILES Clc1ccc(cc1)C1CN(CCN1C(=O)c1ccc(Cl)cc1)C(=O)c1c[nH]c(=O)c(c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C29H22Cl3N3O3/c30-22-8-4-18(5-9-22)26-17-34(12-13-35(26)29(38)19-6-10-23(31)11-7-19)28(37)21-15-25(27(36)33-16-21)20-2-1-3-24(32)14-20/h1-11,14-16,26H,12-13,17H2,(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283446 (CHEMBL4169616) Show SMILES Clc1ccc(cc1)C1CN(CCN1C(=O)c1ccc(Cl)cc1)C(=O)c1c[nH]c(=O)c(c1)-c1ccccc1 Show InChI InChI=1S/C29H23Cl2N3O3/c30-23-10-6-20(7-11-23)26-18-33(14-15-34(26)29(37)21-8-12-24(31)13-9-21)28(36)22-16-25(27(35)32-17-22)19-4-2-1-3-5-19/h1-13,16-17,26H,14-15,18H2,(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283461 (CHEMBL4164548) Show SMILES Clc1ccc(cc1)C1CN(CCN1C(=O)c1ccc(Cl)cc1)C(=O)c1c[nH]c(=O)c(c1)-c1ccccc1Cl Show InChI InChI=1S/C29H22Cl3N3O3/c30-21-9-5-18(6-10-21)26-17-34(13-14-35(26)29(38)19-7-11-22(31)12-8-19)28(37)20-15-24(27(36)33-16-20)23-3-1-2-4-25(23)32/h1-12,15-16,26H,13-14,17H2,(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283463 (CHEMBL4176581) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(c[nH]c1=O)C(=O)N1CCN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H25Cl2N3O5S/c1-41(39,40)25-4-2-3-21(15-25)26-16-22(17-33-28(26)36)29(37)34-13-14-35(30(38)20-7-11-24(32)12-8-20)27(18-34)19-5-9-23(31)10-6-19/h2-12,15-17,27H,13-14,18H2,1H3,(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50320009 ((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...) Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r| Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283447 (CHEMBL4168400) Show SMILES FC(F)(F)c1cccc(c1)-c1cc(c[nH]c1=O)C(=O)N1CCN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H22Cl2F3N3O3/c31-23-8-4-18(5-9-23)26-17-37(12-13-38(26)29(41)19-6-10-24(32)11-7-19)28(40)21-15-25(27(39)36-16-21)20-2-1-3-22(14-20)30(33,34)35/h1-11,14-16,26H,12-13,17H2,(H,36,39)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283459 (CHEMBL4159400) Show SMILES Cn1cc(cc(-c2cccc(c2)C(F)(F)F)c1=O)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C30H23BrClF3N4O3/c1-37-16-20(14-24(28(37)41)19-3-2-4-21(13-19)30(33,34)35)27(40)38-11-12-39(29(42)25-10-7-22(31)15-36-25)26(17-38)18-5-8-23(32)9-6-18/h2-10,13-16,26H,11-12,17H2,1H3/t26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337107 ((RS)-3-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C28H33NO4/c1-28(2,16-19-10-11-20-6-3-4-7-22(20)14-19)29-17-25(30)18-33-26(21-12-13-21)23-8-5-9-24(15-23)27(31)32/h3-11,14-15,21,25-26,29-30H,12-13,16-18H2,1-2H3,(H,31,32)/t25-,26?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283468 (CHEMBL4165785) Show SMILES Clc1ccc(cc1)C1CN(CCN1C(=O)c1ccc(Cl)cc1)C(=O)c1c[nH]c(=O)c(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H22Cl3N3O3/c30-22-7-1-18(2-8-22)25-15-21(16-33-27(25)36)28(37)34-13-14-35(29(38)20-5-11-24(32)12-6-20)26(17-34)19-3-9-23(31)10-4-19/h1-12,15-16,26H,13-14,17H2,(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50337105 ((R)-1-((R)-cyclopropyl(2-(hydroxymethyl)phenyl)met...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](C1CC1)c1ccccc1CO |r| Show InChI InChI=1S/C28H35NO3/c1-28(2,16-20-11-12-21-7-3-4-8-23(21)15-20)29-17-25(31)19-32-27(22-13-14-22)26-10-6-5-9-24(26)18-30/h3-12,15,22,25,27,29-31H,13-14,16-19H2,1-2H3/t25-,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283460 (CHEMBL4177474) Show SMILES Clc1ccc(cc1)C1CN(CCN1C(=O)c1ccc(Cl)cc1)C(=O)c1c[nH]c(=O)c2ccccc12 Show InChI InChI=1S/C27H21Cl2N3O3/c28-19-9-5-17(6-10-19)24-16-31(13-14-32(24)26(34)18-7-11-20(29)12-8-18)27(35)23-15-30-25(33)22-4-2-1-3-21(22)23/h1-12,15,24H,13-14,16H2,(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337111 ((RS)-4'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...) Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(24-10-12-26(13-11-24)27-14-16-28(17-15-27)31(35)36)37-21-30(34)20-33-32(2,3)19-23-8-9-25-6-4-5-7-29(25)18-23/h4-18,22,30,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283467 (CHEMBL4162337) Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cncc2ccccc12 |r| Show InChI InChI=1S/C27H21BrClN3O2/c28-21-9-5-19(6-10-21)26(33)32-14-13-31(17-25(32)18-7-11-22(29)12-8-18)27(34)24-16-30-15-20-3-1-2-4-23(20)24/h1-12,15-16,25H,13-14,17H2/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337103 (2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of beta2 adrenergic receptor				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337110 (2-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CC(O)=O |r| Show InChI InChI=1S/C27H33NO4/c1-19(25-11-7-6-10-23(25)15-26(30)31)32-18-24(29)17-28-27(2,3)16-20-12-13-21-8-4-5-9-22(21)14-20/h4-14,19,24,28-29H,15-18H2,1-3H3,(H,30,31)/t19-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-III (Homo sapiens (Human))	BDBM50283466 (CHEMBL4176640) Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1ccnc2ccccc12 |r| Show InChI InChI=1S/C27H21BrClN3O2/c28-20-9-5-19(6-10-20)26(33)32-16-15-31(17-25(32)18-7-11-21(29)12-8-18)27(34)23-13-14-30-24-4-2-1-3-22(23)24/h1-14,25H,15-17H2/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337106 ((RS)-2-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H33NO4/c1-28(2,16-19-11-12-20-7-3-4-8-22(20)15-19)29-17-23(30)18-33-26(21-13-14-21)24-9-5-6-10-25(24)27(31)32/h3-12,15,21,23,26,29-30H,13-14,16-18H2,1-2H3,(H,31,32)/t23-,26?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337108 ((RS)-4-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C28H33NO4/c1-28(2,16-19-7-8-20-5-3-4-6-24(20)15-19)29-17-25(30)18-33-26(21-9-10-21)22-11-13-23(14-12-22)27(31)32/h3-8,11-15,21,25-26,29-30H,9-10,16-18H2,1-2H3,(H,31,32)/t25-,26?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337109 ((RS)-2-(1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphthale...) Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C26H31NO4/c1-18(23-10-6-7-11-24(23)25(29)30)31-17-22(28)16-27-26(2,3)15-19-12-13-20-8-4-5-9-21(20)14-19/h4-14,18,22,27-28H,15-17H2,1-3H3,(H,29,30)/t18?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50337104 (3-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CCC(O)=O |r| Show InChI InChI=1S/C28H35NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-13,16,20,25,29-30H,14-15,17-19H2,1-3H3,(H,31,32)/t20-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50337104 (3-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CCC(O)=O |r| Show InChI InChI=1S/C28H35NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-13,16,20,25,29-30H,14-15,17-19H2,1-3H3,(H,31,32)/t20-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50337107 ((RS)-3-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C28H33NO4/c1-28(2,16-19-10-11-20-6-3-4-7-22(20)14-19)29-17-25(30)18-33-26(21-12-13-21)23-8-5-9-24(15-23)27(31)32/h3-11,14-15,21,25-26,29-30H,12-13,16-18H2,1-2H3,(H,31,32)/t25-,26?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50337114 (2'-((1R)-1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50337106 ((RS)-2-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C28H33NO4/c1-28(2,16-19-11-12-20-7-3-4-8-22(20)15-19)29-17-23(30)18-33-26(21-13-14-21)24-9-5-6-10-25(24)27(31)32/h3-12,15,21,23,26,29-30H,13-14,16-18H2,1-2H3,(H,31,32)/t23-,26?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50337103 (2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-II (Homo sapiens (Human))	BDBM65493 (eIF4A3 inhibitor, 2) Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r| Show InChI InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of eIF4G-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A2 RNA dependent ATPase activity using single stranded poly...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
ATP-dependent RNA helicase DHX29 (Homo sapiens (Human))	BDBM50283445 (CHEMBL4175313) Show SMILES FC(F)(F)c1cccc(c1)-c1cc(cn(-c2ccccc2)c1=O)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C35H25BrClF3N4O3/c36-26-11-14-30(41-19-26)34(47)43-16-15-42(21-31(43)22-9-12-27(37)13-10-22)32(45)24-18-29(23-5-4-6-25(17-23)35(38,39)40)33(46)44(20-24)28-7-2-1-3-8-28/h1-14,17-20,31H,15-16,21H2/t31-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal full length FLAG-His-tagged DHX29 RNA dependent ATPase activity expressed in baculovirus infected Sf9 inse...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
ATP-dependent RNA helicase DHX29 (Homo sapiens (Human))	BDBM50283443 (CHEMBL4170030) Show SMILES Cn1cc(cc(-c2cccc(c2)C#N)c1=O)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C30H23BrClN5O3/c1-35-17-22(14-25(29(35)39)21-4-2-3-19(13-21)15-33)28(38)36-11-12-37(30(40)26-10-7-23(31)16-34-26)27(18-36)20-5-8-24(32)9-6-20/h2-10,13-14,16-17,27H,11-12,18H2,1H3/t27-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal full length FLAG-His-tagged DHX29 RNA dependent ATPase activity expressed in baculovirus infected Sf9 inse...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
ATP-dependent RNA helicase DHX29 (Homo sapiens (Human))	BDBM65493 (eIF4A3 inhibitor, 2) Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r| Show InChI InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal full length FLAG-His-tagged DHX29 RNA dependent ATPase activity expressed in baculovirus infected Sf9 inse...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
U5 small nuclear ribonucleoprotein 200 kDa helicase (Homo sapiens (Human))	BDBM50283443 (CHEMBL4170030) Show SMILES Cn1cc(cc(-c2cccc(c2)C#N)c1=O)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C30H23BrClN5O3/c1-35-17-22(14-25(29(35)39)21-4-2-3-19(13-21)15-33)28(38)36-11-12-37(30(40)26-10-7-23(31)16-34-26)27(18-36)20-5-8-24(32)9-6-20/h2-10,13-14,16-17,27H,11-12,18H2,1H3/t27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal full length His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cel...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
U5 small nuclear ribonucleoprotein 200 kDa helicase (Homo sapiens (Human))	BDBM65493 (eIF4A3 inhibitor, 2) Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r| Show InChI InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal full length His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cel...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-II (Homo sapiens (Human))	BDBM50283443 (CHEMBL4170030) Show SMILES Cn1cc(cc(-c2cccc(c2)C#N)c1=O)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C30H23BrClN5O3/c1-35-17-22(14-25(29(35)39)21-4-2-3-19(13-21)15-33)28(38)36-11-12-37(30(40)26-10-7-23(31)16-34-26)27(18-36)20-5-8-24(32)9-6-20/h2-10,13-14,16-17,27H,11-12,18H2,1H3/t27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of eIF4G-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A2 RNA dependent ATPase activity using single stranded poly...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM65493 (eIF4A3 inhibitor, 2) Show SMILES Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r| Show InChI InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of eIF4G-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A1 RNA dependent ATPase activity expressed in Escherichia c...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair
U5 small nuclear ribonucleoprotein 200 kDa helicase (Homo sapiens (Human))	BDBM50283445 (CHEMBL4175313) Show SMILES FC(F)(F)c1cccc(c1)-c1cc(cn(-c2ccccc2)c1=O)C(=O)N1CCN([C@H](C1)c1ccc(Cl)cc1)C(=O)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C35H25BrClF3N4O3/c36-26-11-14-30(41-19-26)34(47)43-16-15-42(21-31(43)22-9-12-27(37)13-10-22)32(45)24-18-29(23-5-4-6-25(17-23)35(38,39)40)33(46)44(20-24)28-7-2-1-3-8-28/h1-14,17-20,31H,15-16,21H2/t31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal full length His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cel...				ACS Med Chem Lett 8: 1077-1082 (2017) Article DOI: 10.1021/acsmedchemlett.7b00283 BindingDB Entry DOI: 10.7270/Q2QJ7KT3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 643 total )  |  Next  |  Last  >>

Jump to: