Compile Data Set for Download or QSAR

Found 239 hits with Last Name = 'parthasarathy' and Initial = 's'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50017233 (CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595702 (CHEMBL5172637) Show SMILES CN(C(=O)c1coc(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595695 (CHEMBL5172447) Show SMILES CN(C(=O)c1cn(C)c(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595698 (CHEMBL5174634) Show SMILES CN(C(=O)c1nn(C)c(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50271974 (CHEMBL4128457) Show SMILES C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)-c3ccc(F)c(c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C29H33F4N7O/c1-18-14-24(41)37-26-25(18)28(35-17-34-26)39-10-6-19(7-11-39)27-36-23(16-40(27)13-12-38-8-2-3-9-38)20-4-5-22(30)21(15-20)29(31,32)33/h4-5,15-19H,2-3,6-14H2,1H3,(H,34,35,37,41)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human recombinant AKT1 expressed in insect cells incubated for 60 mins measured at apparent ATP Km level by kinase ADP-FP assay				Bioorg Med Chem Lett 28: 1887-1891 (2018) Article DOI: 10.1016/j.bmcl.2018.03.092 BindingDB Entry DOI: 10.7270/Q2GF0X0M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50271976 (LY 2584702 | LY-2584702 | LY2584702) Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc2[nH]ncc12)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human p70S6K measured at apparent ATP Km level				Bioorg Med Chem Lett 28: 1887-1891 (2018) Article DOI: 10.1016/j.bmcl.2018.03.092 BindingDB Entry DOI: 10.7270/Q2GF0X0M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50271973 (CHEMBL4126067) Show SMILES C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)C3CCOCC3)c12 |r| Show InChI InChI=1S/C27H39N7O2/c1-19-16-23(35)31-25-24(19)27(29-18-28-25)33-10-4-21(5-11-33)26-30-22(20-6-14-36-15-7-20)17-34(26)13-12-32-8-2-3-9-32/h17-21H,2-16H2,1H3,(H,28,29,31,35)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human recombinant AKT1 expressed in insect cells incubated for 60 mins measured at apparent ATP Km level by kinase ADP-FP assay				Bioorg Med Chem Lett 28: 1887-1891 (2018) Article DOI: 10.1016/j.bmcl.2018.03.092 BindingDB Entry DOI: 10.7270/Q2GF0X0M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50017233 (CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50271964 (CHEMBL4129379) Show SMILES C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(CCC(F)(F)F)cn3CCN3CCCC3)c12 |r| Show InChI InChI=1S/C25H34F3N7O/c1-17-14-20(36)32-22-21(17)24(30-16-29-22)34-10-5-18(6-11-34)23-31-19(4-7-25(26,27)28)15-35(23)13-12-33-8-2-3-9-33/h15-18H,2-14H2,1H3,(H,29,30,32,36)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human recombinant AKT1 expressed in insect cells incubated for 60 mins measured at apparent ATP Km level by kinase ADP-FP assay				Bioorg Med Chem Lett 28: 1887-1891 (2018) Article DOI: 10.1016/j.bmcl.2018.03.092 BindingDB Entry DOI: 10.7270/Q2GF0X0M
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50017233 (CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122542 (17-cyclopropylmethyl-16-methyl-17-azatetracyclo[7....) Show SMILES C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(9.83,-1.73,;8.73,-2.83,;4.91,-1.57,;4.91,-.02,;4.91,1.53,;6.24,2.3,;6.24,3.84,;7.57,1.53,;7.57,-.02,;6.24,-.79,;6.45,-4.65,;4.91,-4.65,;3.58,-3.88,;2.25,-4.65,;.91,-3.88,;.91,-2.34,;-.44,-1.55,;2.25,-1.57,;3.58,-2.34,;7.89,-4.11,;8.85,-5.3,;8.29,-6.75,;7.09,-7.7,;8.52,-8.27,)| Show InChI InChI=1S/C21H25NO2/c1-12-21-18-9-15(23)5-4-14(18)8-20(22(12)11-13-2-3-13)17-7-6-16(24)10-19(17)21/h4-5,9-10,12-13,17,20-21,23H,2-3,6-8,11H2,1H3/t12-,17-,20+,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122549 (4N,13N-dibenzyl-17-cyclopropylmethyl-16-methyl-17-...) Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)| Show InChI InChI=1S/C35H39N3/c1-24-35-32-19-29(36-21-25-8-4-2-5-9-25)15-14-28(32)18-34(38(24)23-27-12-13-27)31-17-16-30(20-33(31)35)37-22-26-10-6-3-7-11-26/h2-11,14-15,19-20,24,27,31,34-36H,12-13,16-18,21-23H2,1H3/t24-,31-,34+,35+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122523 (4N,13N-dibenzyl-16,17-dimethyl-17-azatetracyclo[7....) Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1C)=NCc1ccccc1 |w:27.32,wU:2.2,9.28,8.8,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:26:25:3.8:24.11.10,7:8:25.1:24.11.10,12:11:25.1:3.8,(11.14,-2.39,;10.05,-3.49,;6.2,-2.23,;6.2,-.68,;6.2,.88,;7.54,1.65,;8.88,.88,;8.88,-.68,;7.54,-1.45,;7.76,-5.32,;6.2,-5.32,;4.87,-4.54,;3.54,-5.32,;2.21,-4.54,;2.21,-3,;.85,-2.21,;-.49,-2.97,;-.49,-4.51,;-1.84,-5.27,;-1.84,-6.8,;-.51,-7.58,;.83,-6.8,;.83,-5.27,;3.54,-2.23,;4.87,-3,;9.2,-4.77,;10.16,-5.97,;7.54,3.2,;6.2,3.97,;4.87,3.2,;4.87,1.68,;3.56,.91,;2.23,1.68,;2.23,3.2,;3.55,3.97,)| Show InChI InChI=1S/C32H35N3/c1-22-32-29-18-26(33-20-23-9-5-3-6-10-23)14-13-25(29)17-31(35(22)2)28-16-15-27(19-30(28)32)34-21-24-11-7-4-8-12-24/h3-14,18-19,22,28,31-33H,15-17,20-21H2,1-2H3/t22-,28-,31+,32+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595696 (CHEMBL5197027) Show SMILES CN(C(=O)c1cn(C)c(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50271975 (CHEMBL4129817) Show SMILES C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C23H30F3N7O/c1-15-12-18(34)30-20-19(15)22(28-14-27-20)32-8-4-16(5-9-32)21-29-17(23(24,25)26)13-33(21)11-10-31-6-2-3-7-31/h13-16H,2-12H2,1H3,(H,27,28,30,34)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human recombinant AKT1 expressed in insect cells incubated for 60 mins measured at apparent ATP Km level by kinase ADP-FP assay				Bioorg Med Chem Lett 28: 1887-1891 (2018) Article DOI: 10.1016/j.bmcl.2018.03.092 BindingDB Entry DOI: 10.7270/Q2GF0X0M
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381390 (CHEMBL2017388) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(c2)C(F)(F)F)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C |r| Show InChI InChI=1S/C25H29ClF3N7O2/c1-6-19-12-21(22-20(8-7-15(4)30-22)36(19)24(37)38-14(2)3)35(23-31-33-34(5)32-23)13-16-9-17(25(27,28)29)11-18(26)10-16/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595705 (CHEMBL5192334) Show SMILES CN(C(=O)c1ccnn1Cc1ccc2cc(C)c(N)nc2c1)c1ncccc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122548 (16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]...) Show SMILES C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1C |wU:2.2,10.21,9.9,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(9.83,-3.2,;8.73,-4.3,;4.91,-3.04,;4.91,-1.5,;4.91,.05,;6.24,.82,;6.24,2.36,;7.57,.05,;7.57,-1.5,;6.24,-2.27,;6.45,-6.14,;4.91,-6.14,;3.58,-5.37,;2.25,-6.14,;.91,-5.37,;.91,-3.83,;-.44,-3.03,;2.25,-3.04,;3.58,-3.81,;7.89,-5.58,;8.85,-6.79,)| Show InChI InChI=1S/C18H21NO2/c1-10-18-15-8-12(20)4-3-11(15)7-17(19(10)2)14-6-5-13(21)9-16(14)18/h3-4,8-10,14,17-18,20H,5-7H2,1-2H3/t10-,14-,17+,18+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595700 (CHEMBL5175731) Show SMILES CN(C(=O)c1cccc(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381389 (CHEMBL2017387) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(c2)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C25H26ClF6N7O2/c1-5-17-11-19(21-18(39(17)23(40)41-13(2)3)6-7-20(33-21)25(30,31)32)38(22-34-36-37(4)35-22)12-14-8-15(24(27,28)29)10-16(26)9-14/h6-10,13,17,19H,5,11-12H2,1-4H3/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM50271974 (CHEMBL4128457) Show SMILES C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)-c3ccc(F)c(c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C29H33F4N7O/c1-18-14-24(41)37-26-25(18)28(35-17-34-26)39-10-6-19(7-11-39)27-36-23(16-40(27)13-12-38-8-2-3-9-38)20-4-5-22(30)21(15-20)29(31,32)33/h4-5,15-19H,2-3,6-14H2,1H3,(H,34,35,37,41)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human RSK1 measured at apparent ATP Km level				Bioorg Med Chem Lett 28: 1887-1891 (2018) Article DOI: 10.1016/j.bmcl.2018.03.092 BindingDB Entry DOI: 10.7270/Q2GF0X0M
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381391 (CHEMBL2017389) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C#N)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C |r| Show InChI InChI=1S/C26H29F3N8O2/c1-6-20-12-22(23-21(8-7-16(4)31-23)37(20)25(38)39-15(2)3)36(24-32-34-35(5)33-24)14-18-9-17(13-30)10-19(11-18)26(27,28)29/h7-11,15,20,22H,6,12,14H2,1-5H3/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595699 (CHEMBL5185584) Show SMILES CN(C(=O)c1nn(C)c(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381388 (CHEMBL2017386) Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(cc(C)c12)C(F)(F)F |r| Show InChI InChI=1S/C26H26F9N7O2/c1-5-17-11-18(20-21(42(17)23(43)44-6-2)13(3)7-19(36-20)26(33,34)35)41(22-37-39-40(4)38-22)12-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h7-10,17-18H,5-6,11-12H2,1-4H3/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381417 (CHEMBL2017391) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(Cl)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C |r| Show InChI InChI=1S/C24H29Cl2N7O2/c1-6-19-12-21(22-20(8-7-15(4)27-22)33(19)24(34)35-14(2)3)32(23-28-30-31(5)29-23)13-16-9-17(25)11-18(26)10-16/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381415 (EVACETRAPIB | LY2484595) Show SMILES Cc1cc(C)c2N(C[C@H]3CC[C@@H](CC3)C(O)=O)CCC[C@H](N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3nnn(C)n3)c2c1 |r,wU:20.21,11.14,wD:8.7,(-5.45,-18.22,;-4.12,-17.45,;-2.78,-18.22,;-1.45,-17.44,;-.11,-18.2,;-1.45,-15.91,;-.01,-15.34,;1.12,-16.38,;2.59,-15.92,;3.91,-16.71,;5.25,-15.96,;5.27,-14.42,;3.95,-13.63,;2.6,-14.38,;6.62,-13.68,;7.94,-14.47,;6.65,-12.14,;.44,-13.86,;-.45,-12.58,;-1.99,-12.47,;-3.03,-13.61,;-4.36,-12.84,;-4.37,-11.31,;-5.7,-10.54,;-5.7,-8.99,;-7.04,-8.22,;-8.37,-8.99,;-8.37,-10.54,;-7.04,-11.31,;-9.7,-11.31,;-11.04,-10.54,;-9.7,-12.85,;-11.05,-12.07,;-7.04,-6.69,;-5.71,-5.91,;-8.38,-5.92,;-7.06,-5.14,;-5.69,-13.62,;-7.1,-12.98,;-8.13,-14.13,;-7.35,-15.46,;-7.98,-16.87,;-5.85,-15.14,;-2.79,-15.14,;-4.12,-15.91,)| Show InChI InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20-,22-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381395 (CHEMBL2017394) Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc12)C(F)(F)F |r| Show InChI InChI=1S/C25H24F9N7O2/c1-4-16-11-18(20-17(41(16)22(42)43-5-2)6-7-19(35-20)25(32,33)34)40(21-36-38-39(3)37-21)12-13-8-14(23(26,27)28)10-15(9-13)24(29,30)31/h6-10,16,18H,4-5,11-12H2,1-3H3/t16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595697 (CHEMBL5171279) Show SMILES CN(C(=O)c1cn(C)c(=O)n1Cc1cnc2cc(C)c(N)nc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381392 (CHEMBL2017390) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(F)cc(c2)C(F)(F)F)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C |r| Show InChI InChI=1S/C25H29F4N7O2/c1-6-19-12-21(22-20(8-7-15(4)30-22)36(19)24(37)38-14(2)3)35(23-31-33-34(5)32-23)13-16-9-17(25(27,28)29)11-18(26)10-16/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50122549 (4N,13N-dibenzyl-17-cyclopropylmethyl-16-methyl-17-...) Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)| Show InChI InChI=1S/C35H39N3/c1-24-35-32-19-29(36-21-25-8-4-2-5-9-25)15-14-28(32)18-34(38(24)23-27-12-13-27)31-17-16-30(20-33(31)35)37-22-26-10-6-3-7-11-26/h2-11,14-15,19-20,24,27,31,34-36H,12-13,16-18,21-23H2,1H3/t24-,31-,34+,35+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381429 (CHEMBL2017203) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC(C)C)N(C)C |r| Show InChI InChI=1S/C27H32F6N8O2/c1-7-19-13-21(23-20(8-9-22(34-23)38(4)5)41(19)25(42)43-15(2)3)40(24-35-37-39(6)36-24)14-16-10-17(26(28,29)30)12-18(11-16)27(31,32)33/h8-12,15,19,21H,7,13-14H2,1-6H3/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50271974 (CHEMBL4128457) Show SMILES C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)-c3ccc(F)c(c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C29H33F4N7O/c1-18-14-24(41)37-26-25(18)28(35-17-34-26)39-10-6-19(7-11-39)27-36-23(16-40(27)13-12-38-8-2-3-9-38)20-4-5-22(30)21(15-20)29(31,32)33/h4-5,15-19H,2-3,6-14H2,1H3,(H,34,35,37,41)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human p70S6K measured at apparent ATP Km level				Bioorg Med Chem Lett 28: 1887-1891 (2018) Article DOI: 10.1016/j.bmcl.2018.03.092 BindingDB Entry DOI: 10.7270/Q2GF0X0M
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50271974 (CHEMBL4128457) Show SMILES C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)-c3ccc(F)c(c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C29H33F4N7O/c1-18-14-24(41)37-26-25(18)28(35-17-34-26)39-10-6-19(7-11-39)27-36-23(16-40(27)13-12-38-8-2-3-9-38)20-4-5-22(30)21(15-20)29(31,32)33/h4-5,15-19H,2-3,6-14H2,1H3,(H,34,35,37,41)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human PKCbeta2 measured at apparent ATP Km level				Bioorg Med Chem Lett 28: 1887-1891 (2018) Article DOI: 10.1016/j.bmcl.2018.03.092 BindingDB Entry DOI: 10.7270/Q2GF0X0M
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381437 (CHEMBL2017384) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(OC)c(C)cc2N1C(=O)OC(C)C |r| Show InChI InChI=1S/C27H31F6N7O3/c1-7-19-12-20(22-21(8-15(4)23(34-22)42-6)40(19)25(41)43-14(2)3)39(24-35-37-38(5)36-24)13-16-9-17(26(28,29)30)11-18(10-16)27(31,32)33/h8-11,14,19-20H,7,12-13H2,1-6H3/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.4	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595701 (CHEMBL5203872) Show SMILES CN(C(=O)c1nccc(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50271974 (CHEMBL4128457) Show SMILES C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)-c3ccc(F)c(c3)C(F)(F)F)c12 |r| Show InChI InChI=1S/C29H33F4N7O/c1-18-14-24(41)37-26-25(18)28(35-17-34-26)39-10-6-19(7-11-39)27-36-23(16-40(27)13-12-38-8-2-3-9-38)20-4-5-22(30)21(15-20)29(31,32)33/h4-5,15-19H,2-3,6-14H2,1H3,(H,34,35,37,41)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of AKT1 in human U87MG cells assessed as reduction in GSK3beta Ser9 phosphorylation incubated for 1 hr by alpha screen Surefire assay				Bioorg Med Chem Lett 28: 1887-1891 (2018) Article DOI: 10.1016/j.bmcl.2018.03.092 BindingDB Entry DOI: 10.7270/Q2GF0X0M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50312718 (CHEMBL479527 | torcetrapib) Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F |r| Show InChI InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122526 (17-cyclopropylmethyl-16-methyl-13-methylcarbonylox...) Show SMILES C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1CC1CC1 |wU:2.2,13.27,12.11,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-2.45,;9.36,-3.55,;5.54,-2.29,;5.54,-.73,;5.54,.81,;6.87,1.58,;6.87,3.12,;8.2,3.9,;8.2,5.44,;9.53,3.13,;8.2,.81,;8.2,-.73,;6.87,-1.5,;7.08,-5.37,;5.54,-5.37,;4.21,-4.6,;2.88,-5.37,;1.54,-4.6,;1.54,-3.06,;.19,-2.27,;.19,-.73,;1.54,.04,;-1.14,.06,;2.88,-2.29,;4.21,-3.06,;8.52,-4.81,;9.48,-6.03,;8.92,-7.47,;7.72,-8.41,;9.15,-8.98,)| Show InChI InChI=1S/C25H29NO4/c1-14-25-22-11-19(29-15(2)27)7-6-18(22)10-24(26(14)13-17-4-5-17)21-9-8-20(12-23(21)25)30-16(3)28/h6-8,11-12,14,17,21,24-25H,4-5,9-10,13H2,1-3H3/t14-,21-,24+,25+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381428 (CHEMBL2017200) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(CCO)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C27H28F9N7O3/c1-4-18-12-20(22-19(43(18)24(45)46-14(2)3)5-6-21(37-22)27(34,35)36)41(23-38-40-42(39-23)7-8-44)13-15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h5-6,9-11,14,18,20,44H,4,7-8,12-13H2,1-3H3/t18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50348228 (CHEMBL1800807) Show SMILES COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381425 (CHEMBL2017197) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(Br)ccc2N1C(=O)OC(C)C |r| Show InChI InChI=1S/C25H26BrF6N7O2/c1-5-17-11-19(21-18(6-7-20(26)33-21)39(17)23(40)41-13(2)3)38(22-34-36-37(4)35-22)12-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h6-10,13,17,19H,5,11-12H2,1-4H3/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381424 (CHEMBL2017195) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C26H26F9N7O2/c1-5-17-11-19(21-18(42(17)23(43)44-13(2)3)6-7-20(36-21)26(33,34)35)41(22-37-39-40(4)38-22)12-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h6-10,13,17,19H,5,11-12H2,1-4H3/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50122549 (4N,13N-dibenzyl-17-cyclopropylmethyl-16-methyl-17-...) Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)| Show InChI InChI=1S/C35H39N3/c1-24-35-32-19-29(36-21-25-8-4-2-5-9-25)15-14-28(32)18-34(38(24)23-27-12-13-27)31-17-16-30(20-33(31)35)37-22-26-10-6-3-7-11-26/h2-11,14-15,19-20,24,27,31,34-36H,12-13,16-18,21-23H2,1H3/t24-,31-,34+,35+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595703 (CHEMBL5181402) Show SMILES CN(C(=O)c1noc(=O)n1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381424 (CHEMBL2017195) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)OC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C26H26F9N7O2/c1-5-17-11-19(21-18(42(17)23(43)44-13(2)3)6-7-20(36-21)26(33,34)35)41(22-37-39-40(4)38-22)12-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h6-10,13,17,19H,5,11-12H2,1-4H3/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50595704 (CHEMBL5190045) Show SMILES CN(C(=O)c1cnnn1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MW2N51
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122540 (16,17-dimethyl-4,13-di(4-methylhexahydro-1-pyrazin...) Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1C)N1CCN(C)CC1 |wU:2.2,9.27,8.8,1.0,c:5,t:3,TLB:15:16:24.1:3.8,0:1:3.8:16.11.10,THB:7:8:24.1:16.11.10,12:11:24.1:3.8,25:24:3.8:16.11.10,(13.17,-7.29,;12.07,-8.38,;8.24,-7.12,;8.24,-5.56,;8.24,-4.02,;9.57,-3.25,;10.9,-4.02,;10.9,-5.56,;9.57,-6.33,;9.78,-10.2,;8.24,-10.2,;6.91,-9.43,;5.58,-10.2,;4.25,-9.43,;4.25,-7.89,;5.58,-7.12,;6.91,-7.89,;2.9,-7.1,;2.9,-5.54,;1.57,-4.76,;.21,-5.51,;-1.11,-4.74,;.19,-7.08,;1.55,-7.87,;11.23,-9.64,;12.19,-10.86,;9.57,-1.71,;10.9,-.94,;10.9,.58,;9.57,1.37,;9.59,2.91,;8.24,.6,;8.24,-.94,)| Show InChI InChI=1S/C28H41N5/c1-20-28-25-18-22(32-13-9-29(2)10-14-32)6-5-21(25)17-27(31(20)4)24-8-7-23(19-26(24)28)33-15-11-30(3)12-16-33/h5-7,18-20,24,27-28H,8-17H2,1-4H3/t20-,24-,27+,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50381404 (CHEMBL2017403) Show SMILES CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnn(C)n2)c2nc(ccc2N1C(=O)C(C)C)C(F)(F)F |r| Show InChI InChI=1S/C26H26F9N7O/c1-5-17-11-19(21-18(42(17)22(43)13(2)3)6-7-20(36-21)26(33,34)35)41(23-37-39-40(4)38-23)12-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h6-10,13,17,19H,5,11-12H2,1-4H3/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis				Bioorg Med Chem Lett 22: 3056-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.075 BindingDB Entry DOI: 10.7270/Q28G8MQT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122541 (4N,13N-diphenyl-16,17-dimethyl-(16R)-17-azatetracy...) Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1C)=Nc1ccccc1 |w:26.31,wU:2.2,9.27,8.8,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.76,-4.31,;10.67,-5.4,;6.84,-4.14,;6.84,-2.59,;6.84,-1.06,;8.17,-.29,;9.51,-1.06,;9.51,-2.59,;8.17,-3.36,;8.39,-7.22,;6.84,-7.22,;5.52,-6.46,;4.19,-7.22,;2.85,-6.46,;2.85,-4.91,;1.51,-4.13,;.17,-4.87,;-1.16,-4.1,;-2.48,-4.85,;-2.49,-6.4,;-1.16,-7.18,;.17,-6.41,;4.19,-4.14,;5.52,-4.91,;9.82,-6.67,;10.78,-7.87,;8.17,1.25,;6.83,2.02,;5.52,1.26,;4.19,2.02,;4.17,3.56,;5.52,4.35,;6.84,3.58,)| Show InChI InChI=1S/C30H31N3/c1-20-30-27-18-24(31-22-9-5-3-6-10-22)14-13-21(27)17-29(33(20)2)26-16-15-25(19-28(26)30)32-23-11-7-4-8-12-23/h3-14,18-20,26,29-31H,15-17H2,1-2H3/t20-,26-,29+,30+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair

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