Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'shibuya' and Initial = 'y'   

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
Neprilysin (Homo sapiens (Human))	BDBM50354041 (CHEMBL1829584) Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H30N2O5/c31-26(32)17-18-29-27(33)25(30-24(28(34)35)16-13-20-7-3-1-4-8-20)19-21-11-14-23(15-12-21)22-9-5-2-6-10-22/h1-12,14-15,24-25,30H,13,16-19H2,(H,29,33)(H,31,32)(H,34,35)/t24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Kao Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...				Bioorg Med Chem 19: 5935-47 (2011) Article DOI: 10.1016/j.bmc.2011.08.064 BindingDB Entry DOI: 10.7270/Q2154HF6
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50354042 (CHEMBL1829585) Show SMILES C[C@@H](CNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C29H32N2O5/c1-20(28(33)34)19-30-27(32)26(31-25(29(35)36)17-14-21-8-4-2-5-9-21)18-22-12-15-24(16-13-22)23-10-6-3-7-11-23/h2-13,15-16,20,25-26,31H,14,17-19H2,1H3,(H,30,32)(H,33,34)(H,35,36)/t20-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Kao Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...				Bioorg Med Chem 19: 5935-47 (2011) Article DOI: 10.1016/j.bmc.2011.08.064 BindingDB Entry DOI: 10.7270/Q2154HF6
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50251742 ((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...) Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kao Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...				Bioorg Med Chem 19: 5935-47 (2011) Article DOI: 10.1016/j.bmc.2011.08.064 BindingDB Entry DOI: 10.7270/Q2154HF6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM182852 (US9149492, Compound 1D) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CN2CCCCCC2=O)cc1 Show InChI InChI=1S/C38H46N2O5/c1-26(2)32-14-11-15-33(27(3)4)38(32)39-35(42)24-34(41)30(22-28-12-7-5-8-13-28)23-29-17-19-31(20-18-29)45-37(44)25-40-21-10-6-9-16-36(40)43/h5,7-8,11-15,17-20,26-27,30H,6,9-10,16,21-25H2,1-4H3,(H,39,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM182851 (US9149492, Compound 1C) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CCCCCCN2CCCCCC2=O)cc1 Show InChI InChI=1S/C43H56N2O5/c1-31(2)37-18-15-19-38(32(3)4)43(37)44-40(47)30-39(46)35(28-33-16-9-7-10-17-33)29-34-22-24-36(25-23-34)50-42(49)21-12-5-6-13-26-45-27-14-8-11-20-41(45)48/h7,9-10,15-19,22-25,31-32,35H,5-6,8,11-14,20-21,26-30H2,1-4H3,(H,44,47)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM182849 (US9149492, Compound 1A) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C30H35NO2/c1-21(2)26-16-11-17-27(22(3)4)30(26)31-29(33)20-28(32)25(18-23-12-7-5-8-13-23)19-24-14-9-6-10-15-24/h5-17,21-22,25H,18-20H2,1-4H3,(H,31,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50354040 (CHEMBL1829583) Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCC(O)=O |r| Show InChI InChI=1S/C20H22N2O5/c23-18(24)10-11-21-20(27)17(22-13-19(25)26)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,21,27)(H,23,24)(H,25,26)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Kao Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...				Bioorg Med Chem 19: 5935-47 (2011) Article DOI: 10.1016/j.bmc.2011.08.064 BindingDB Entry DOI: 10.7270/Q2154HF6
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM182850 (US9149492, Compound 1B) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H35NO3/c1-20(2)26-11-8-12-27(21(3)4)30(26)31-29(34)19-28(33)24(17-22-9-6-5-7-10-22)18-23-13-15-25(32)16-14-23/h5-16,20-21,24,32H,17-19H2,1-4H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM182848 (US9149492, Eflucimibe (F12511)) Show SMILES CCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 |r| Show InChI InChI=1S/C29H43NO2S/c1-5-6-7-8-9-10-11-12-13-17-20-33-28(25-18-15-14-16-19-25)29(32)30-26-21-22(2)27(31)24(4)23(26)3/h14-16,18-19,21,28,31H,5-13,17,20H2,1-4H3,(H,30,32)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM182848 (US9149492, Eflucimibe (F12511)) Show SMILES CCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 |r| Show InChI InChI=1S/C29H43NO2S/c1-5-6-7-8-9-10-11-12-13-17-20-33-28(25-18-15-14-16-19-25)29(32)30-26-21-22(2)27(31)24(4)23(26)3/h14-16,18-19,21,28,31H,5-13,17,20H2,1-4H3,(H,30,32)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM182849 (US9149492, Compound 1A) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C30H35NO2/c1-21(2)26-16-11-17-27(22(3)4)30(26)31-29(33)20-28(32)25(18-23-12-7-5-8-13-23)19-24-14-9-6-10-15-24/h5-17,21-22,25H,18-20H2,1-4H3,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50354044 (CHEMBL1829587) Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C25H25NO4/c27-24(28)22(16-13-18-7-3-1-4-8-18)26-23(25(29)30)17-19-11-14-21(15-12-19)20-9-5-2-6-10-20/h1-12,14-15,22-23,26H,13,16-17H2,(H,27,28)(H,29,30)/t22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Kao Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...				Bioorg Med Chem 19: 5935-47 (2011) Article DOI: 10.1016/j.bmc.2011.08.064 BindingDB Entry DOI: 10.7270/Q2154HF6
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50354043 (CHEMBL1829586) Show SMILES C[C@@H](CNC(=O)[C@H](Cc1ccc(C)cc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H30N2O5/c1-16-8-10-19(11-9-16)14-21(22(27)25-15-17(2)23(28)29)26-20(24(30)31)13-12-18-6-4-3-5-7-18/h3-11,17,20-21,26H,12-15H2,1-2H3,(H,25,27)(H,28,29)(H,30,31)/t17-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Kao Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...				Bioorg Med Chem 19: 5935-47 (2011) Article DOI: 10.1016/j.bmc.2011.08.064 BindingDB Entry DOI: 10.7270/Q2154HF6
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM182847 (US9149492, K-604) Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM182851 (US9149492, Compound 1C) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CCCCCCN2CCCCCC2=O)cc1 Show InChI InChI=1S/C43H56N2O5/c1-31(2)37-18-15-19-38(32(3)4)43(37)44-40(47)30-39(46)35(28-33-16-9-7-10-17-33)29-34-22-24-36(25-23-34)50-42(49)21-12-5-6-13-26-45-27-14-8-11-20-41(45)48/h7,9-10,15-19,22-25,31-32,35H,5-6,8,11-14,20-21,26-30H2,1-4H3,(H,44,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50360304 (CHEMBL516093 | US9149492, Beauveriolide I) Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1 |r| Show InChI InChI=1S/C27H41N3O5/c1-6-7-11-18(4)23-16-24(31)29-21(15-20-12-9-8-10-13-20)26(33)28-19(5)25(32)30-22(14-17(2)3)27(34)35-23/h8-10,12-13,17-19,21-23H,6-7,11,14-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t18-,19-,21-,22+,23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM182852 (US9149492, Compound 1D) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CN2CCCCCC2=O)cc1 Show InChI InChI=1S/C38H46N2O5/c1-26(2)32-14-11-15-33(27(3)4)38(32)39-35(42)24-34(41)30(22-28-12-7-5-8-13-28)23-29-17-19-31(20-18-29)45-37(44)25-40-21-10-6-9-16-36(40)43/h5,7-8,11-15,17-20,26-27,30H,6,9-10,16,21-25H2,1-4H3,(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50360305 (CHEMBL409855 | US9149492, Beauveriolide III) Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r| Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM182850 (US9149492, Compound 1B) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H35NO3/c1-20(2)26-11-8-12-27(21(3)4)30(26)31-29(34)19-28(33)24(17-22-9-6-5-7-10-22)18-23-13-15-25(32)16-14-23/h5-16,20-21,24,32H,17-19H2,1-4H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50360304 (CHEMBL516093 | US9149492, Beauveriolide I) Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1 |r| Show InChI InChI=1S/C27H41N3O5/c1-6-7-11-18(4)23-16-24(31)29-21(15-20-12-9-8-10-13-20)26(33)28-19(5)25(32)30-22(14-17(2)3)27(34)35-23/h8-10,12-13,17-19,21-23H,6-7,11,14-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t18-,19-,21-,22+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50360305 (CHEMBL409855 | US9149492, Beauveriolide III) Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r| Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM182854 (US9149492, 14) Show SMILES CCCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H31N3O/c1-2-3-4-5-6-13-18-23(29)20-26-25-19-24(21-14-9-7-10-15-21)27-28(25)22-16-11-8-12-17-22/h7-12,14-17,19,26H,2-6,13,18,20H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM182853 (US9149492, 13) Show SMILES CCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H29N3O/c1-2-3-4-5-12-17-22(28)19-25-24-18-23(20-13-8-6-9-14-20)26-27(24)21-15-10-7-11-16-21/h6-11,13-16,18,25H,2-5,12,17,19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM182855 (US9149492, 16) Show SMILES CCCCCCCCCCNc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H33N3/c1-2-3-4-5-6-7-8-15-20-26-25-21-24(22-16-11-9-12-17-22)27-28(25)23-18-13-10-14-19-23/h9-14,16-19,21,26H,2-8,15,20H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50354039 (CHEMBL1829582) Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccccc1)NCC(O)=O |r| Show InChI InChI=1S/C14H18N2O5/c17-12(18)6-7-15-14(21)11(16-9-13(19)20)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,15,21)(H,17,18)(H,19,20)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kao Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...				Bioorg Med Chem 19: 5935-47 (2011) Article DOI: 10.1016/j.bmc.2011.08.064 BindingDB Entry DOI: 10.7270/Q2154HF6
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM182853 (US9149492, 13) Show SMILES CCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H29N3O/c1-2-3-4-5-12-17-22(28)19-25-24-18-23(20-13-8-6-9-14-20)26-27(24)21-15-10-7-11-16-21/h6-11,13-16,18,25H,2-5,12,17,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50371698 (CHEMBL408322 | US9149492, 1) Show SMILES CCCCCCCC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C20H25NO/c1-2-3-4-5-9-16-20(22)21-19-15-11-10-14-18(19)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50371699 (CHEMBL270041 | US9149492, 2) Show SMILES CCCCCCCCC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-2-3-4-5-6-10-17-21(23)22-20-16-12-11-15-19(20)18-13-8-7-9-14-18/h7-9,11-16H,2-6,10,17H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM182854 (US9149492, 14) Show SMILES CCCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H31N3O/c1-2-3-4-5-6-13-18-23(29)20-26-25-19-24(21-14-9-7-10-15-21)27-28(25)22-16-11-8-12-17-22/h7-12,14-17,19,26H,2-6,13,18,20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM182855 (US9149492, 16) Show SMILES CCCCCCCCCCNc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H33N3/c1-2-3-4-5-6-7-8-15-20-26-25-21-24(22-16-11-9-12-17-22)27-28(25)23-18-13-10-14-19-23/h9-14,16-19,21,26H,2-8,15,20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM182847 (US9149492, K-604) Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50371698 (CHEMBL408322 | US9149492, 1) Show SMILES CCCCCCCC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C20H25NO/c1-2-3-4-5-9-16-20(22)21-19-15-11-10-14-18(19)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50371699 (CHEMBL270041 | US9149492, 2) Show SMILES CCCCCCCCC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-2-3-4-5-6-10-17-21(23)22-20-16-12-11-15-19(20)18-13-8-7-9-14-18/h7-9,11-16H,2-6,10,17H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trustees of Dartmouth College US Patent					Assay Description Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...				US Patent US9149492 (2015) BindingDB Entry DOI: 10.7270/Q2N015BF
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269673 (CHEMBL1909927) Show SMILES COc1ccc(cc1OC)[C@H](OC(C)=O)[C@@H](C)Oc1c(OC)cc(CC=C)cc1OC |r| Show InChI InChI=1S/C24H30O7/c1-8-9-17-12-21(28-6)24(22(13-17)29-7)30-15(2)23(31-16(3)25)18-10-11-19(26-4)20(14-18)27-5/h8,10-15,23H,1,9H2,2-7H3/t15-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269674 (CHEMBL4065676) Show SMILES COc1cc(ccc1O)[C@H](OC(C)=O)[C@@H](C)Oc1c(OC)cc(CC=C)cc1OC |r| Show InChI InChI=1S/C23H28O7/c1-7-8-16-11-20(27-5)23(21(12-16)28-6)29-14(2)22(30-15(3)24)17-9-10-18(25)19(13-17)26-4/h7,9-14,22,25H,1,8H2,2-6H3/t14-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269675 (CHEMBL4087839) Show SMILES COc1cc(ccc1O)C(O)C(C)Oc1c(OC)cc(CC=C)cc1OC Show InChI InChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269676 (CHEMBL4074380) Show SMILES CCO[C@H]([C@H](C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C23H30O6/c1-7-9-16-12-20(26-5)23(21(13-16)27-6)29-15(3)22(28-8-2)17-10-11-18(24)19(14-17)25-4/h7,10-15,22,24H,1,8-9H2,2-6H3/t15-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	87	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269678 (CHEMBL4092140) Show SMILES CCO[C@@H]([C@@H](C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C23H30O6/c1-7-9-16-12-20(26-5)23(21(13-16)27-6)29-15(3)22(28-8-2)17-10-11-18(24)19(14-17)25-4/h7,10-15,22,24H,1,8-9H2,2-6H3/t15-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	583	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269680 (CHEMBL4073694) Show SMILES CCO[C@H]([C@@H](C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C23H30O6/c1-7-9-16-12-20(26-5)23(21(13-16)27-6)29-15(3)22(28-8-2)17-10-11-18(24)19(14-17)25-4/h7,10-15,22,24H,1,8-9H2,2-6H3/t15-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269681 (CHEMBL4077565) Show SMILES CCCCCCCCCCOC(C(C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C31H46O6/c1-7-9-10-11-12-13-14-15-19-36-30(25-17-18-26(32)27(22-25)33-4)23(3)37-31-28(34-5)20-24(16-8-2)21-29(31)35-6/h8,17-18,20-23,30,32H,2,7,9-16,19H2,1,3-6H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	66	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269682 (CHEMBL4076994) Show SMILES CCCCCCCCOC(C(C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C29H42O6/c1-7-9-10-11-12-13-17-34-28(23-15-16-24(30)25(20-23)31-4)21(3)35-29-26(32-5)18-22(14-8-2)19-27(29)33-6/h8,15-16,18-21,28,30H,2,7,9-14,17H2,1,3-6H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	86	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269683 (CHEMBL4084074) Show SMILES CCCCCCOC(C(C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C27H38O6/c1-7-9-10-11-15-32-26(21-13-14-22(28)23(18-21)29-4)19(3)33-27-24(30-5)16-20(12-8-2)17-25(27)31-6/h8,13-14,16-19,26,28H,2,7,9-12,15H2,1,3-6H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	329	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269672 (CHEMBL463097) Show SMILES COc1ccc(cc1OC)[C@H](O)[C@@H](C)Oc1c(OC)cc(CC=C)cc1OC |r| Show InChI InChI=1S/C22H28O6/c1-7-8-15-11-19(26-5)22(20(12-15)27-6)28-14(2)21(23)16-9-10-17(24-3)18(13-16)25-4/h7,9-14,21,23H,1,8H2,2-6H3/t14-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269659 (CHEMBL4069984) Show SMILES CCOC(C(C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C23H30O6/c1-7-9-16-12-20(26-5)23(21(13-16)27-6)29-15(3)22(28-8-2)17-10-11-18(24)19(14-17)25-4/h7,10-15,22,24H,1,8-9H2,2-6H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	332	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50318482 ((-)-menthol | CHEMBL470670 | MENTHOL | US11406649,...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O |r| Show InChI InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269671 (CHEMBL4084423) Show SMILES CCO[C@@H]([C@H](C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C23H30O6/c1-7-9-16-12-20(26-5)23(21(13-16)27-6)29-15(3)22(28-8-2)17-10-11-18(24)19(14-17)25-4/h7,10-15,22,24H,1,8-9H2,2-6H3/t15-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50318482 ((-)-menthol | CHEMBL470670 | MENTHOL | US11406649,...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O |r| Show InChI InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPA1 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for 5 mins by Fl...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269670 (CHEMBL4072058) Show SMILES CCCCOCCOC(C(C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C27H38O7/c1-7-9-13-32-14-15-33-26(21-11-12-22(28)23(18-21)29-4)19(3)34-27-24(30-5)16-20(10-8-2)17-25(27)31-6/h8,11-12,16-19,26,28H,2,7,9-10,13-15H2,1,3-6H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	153	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269669 (CHEMBL4065256) Show SMILES COc1cc(ccc1O)C(OC(C)C)C(C)Oc1c(OC)cc(CC=C)cc1OC Show InChI InChI=1S/C24H32O6/c1-8-9-17-12-21(27-6)24(22(13-17)28-7)30-16(4)23(29-15(2)3)18-10-11-19(25)20(14-18)26-5/h8,10-16,23,25H,1,9H2,2-7H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	82	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50269664 (CHEMBL4076657) Show SMILES COc1cc(ccc1O)C(OC1CCCCC1)C(C)Oc1c(OC)cc(CC=C)cc1OC Show InChI InChI=1S/C27H36O6/c1-6-10-19-15-24(30-4)27(25(16-19)31-5)32-18(2)26(33-21-11-8-7-9-12-21)20-13-14-22(28)23(17-20)29-3/h6,13-18,21,26,28H,1,7-12H2,2-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
Kansei Science Research and Biological Science Research, Kao Corporation, 2606 Akabane, Ichikai-Machi, Haga-Gun, Tochigi 321-3497, Japan. Curated by ChEMBL					Assay Description Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for ...				ACS Med Chem Lett 8: 715-719 (2017) Article DOI: 10.1021/acsmedchemlett.7b00104 BindingDB Entry DOI: 10.7270/Q2CZ39N2
					More data for this Ligand-Target Pair

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