Compile Data Set for Download or QSAR

Found 263 hits with Last Name = 'ondeyka' and Initial = 'dl'   

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
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123235 (US8742110, 3-20) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(C(O)=O)c(OC)c3)CC2)cc(OCC)c1-c1ccc(F)cc1 Show InChI InChI=1S/C32H35FN2O7/c1-4-40-27-16-21(17-28(41-5-2)29(27)22-6-8-23(33)9-7-22)19-34-14-12-32(13-15-34)20-35(31(38)42-32)24-10-11-25(30(36)37)26(18-24)39-3/h6-11,16-18H,4-5,12-15,19-20H2,1-3H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.129	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123247 (US8742110, 4-11) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-c1cc(F)c(F)cc1F Show InChI InChI=1S/C30H29F3N2O5/c1-3-39-27-13-20(22(12-18(27)2)23-14-25(32)26(33)15-24(23)31)16-34-10-8-30(9-11-34)17-35(29(38)40-30)21-6-4-19(5-7-21)28(36)37/h4-7,12-15H,3,8-11,16-17H2,1-2H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.152	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123253 (US8742110, 4-17) Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(OC(F)(F)F)ccc3-c3ccc(F)c(F)c3F)CC2)OC1=O Show InChI InChI=1S/C28H22F6N2O5/c29-22-8-7-21(23(30)24(22)31)20-6-5-19(40-28(32,33)34)13-17(20)14-35-11-9-27(10-12-35)15-36(26(39)41-27)18-3-1-16(2-4-18)25(37)38/h1-8,13H,9-12,14-15H2,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.165	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123270 (US8742110, 5-6) Show SMILES COc1cccc2c(OC)cc(CN3CCC4(CN(C(=O)O4)c4ccc(cc4)C(O)=O)CC3)cc12 Show InChI InChI=1S/C27H28N2O6/c1-33-23-5-3-4-21-22(23)14-18(15-24(21)34-2)16-28-12-10-27(11-13-28)17-29(26(32)35-27)20-8-6-19(7-9-20)25(30)31/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.172	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123248 (US8742110, 4-12) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(C(O)=O)c(C)c3)CC2)c(cc1C)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C31H31F3N2O5/c1-4-40-26-15-20(24(14-19(26)3)23-7-8-25(32)28(34)27(23)33)16-35-11-9-31(10-12-35)17-36(30(39)41-31)21-5-6-22(29(37)38)18(2)13-21/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.188	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50229575 (CHEMBL2369937) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(C)=O |r,wU:44.47,28.30,48.58,8.15,59.62,2.2,69.72,wD:4.4,18.26,32.43,76.78,(6.67,-4.52,;6.33,-6.02,;4.86,-6.48,;3.73,-5.43,;4.52,-7.98,;5.65,-9.02,;7.12,-8.57,;7.46,-7.07,;8.26,-9.61,;7.92,-11.11,;6.45,-11.57,;5.21,-10.65,;3.95,-11.54,;4.41,-13.01,;5.95,-13.03,;9.73,-9.16,;10.86,-10.2,;10.52,-11.7,;12.33,-9.74,;12.67,-8.24,;11.54,-7.2,;11.72,-5.67,;10.32,-5.02,;9.27,-6.15,;10.03,-7.5,;13.46,-10.79,;14.93,-10.33,;15.27,-8.83,;16.06,-11.38,;17.53,-10.92,;18.66,-11.96,;18.32,-13.47,;20.13,-11.51,;20.47,-10,;19.34,-8.96,;17.87,-9.42,;16.74,-8.37,;17.08,-6.87,;15.95,-5.82,;18.55,-6.41,;19.68,-7.46,;21.26,-12.55,;22.73,-12.09,;23.07,-10.59,;23.87,-13.14,;25.34,-12.68,;26.47,-13.73,;26.13,-15.23,;27.94,-13.27,;29.07,-14.31,;28.73,-15.82,;27.26,-16.27,;26.92,-17.78,;25.45,-18.23,;24.32,-17.19,;25.11,-19.74,;28.28,-11.77,;29.75,-11.31,;30.88,-12.36,;30.09,-9.81,;31.56,-9.35,;31.9,-7.85,;30.77,-6.8,;33.37,-7.39,;28.96,-8.76,;27.49,-9.22,;23.53,-14.64,;22.06,-15.1,;24.66,-15.69,;15.72,-12.88,;16.85,-13.92,;14.25,-13.34,;13.12,-12.29,;3.05,-8.44,;2.71,-9.94,;1.92,-7.39,;.45,-7.85,;-.68,-6.8,;-2.15,-7.26,;-3.28,-6.22,;-4.75,-6.67,;-5.09,-8.18,;-3.96,-9.22,;-2.49,-8.76,;.11,-9.35,;-1.36,-9.81,;1.24,-10.4,)| Show InChI InChI=1S/C59H86N16O12/c1-9-33(5)49(57(86)69-42(35(7)76)23-36-15-12-11-13-16-36)75-55(84)46(26-39-29-64-31-67-39)70-53(82)45(25-38-28-63-30-66-38)72-58(87)50(34(6)10-2)74-54(83)44(24-37-18-20-40(77)21-19-37)71-56(85)48(32(3)4)73-51(80)41(17-14-22-65-59(60)61)68-52(81)43(62-8)27-47(78)79/h11-13,15-16,18-21,28-34,41-46,48-50,62,77H,9-10,14,17,22-27H2,1-8H3,(H,63,66)(H,64,67)(H,68,81)(H,69,86)(H,70,82)(H,71,85)(H,72,87)(H,73,80)(H,74,83)(H,75,84)(H,78,79)(H4,60,61,65)/t33-,34-,41-,42-,43-,44-,45-,46-,48-,49-,50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Exploratory Chemistry Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin receptor from rabbit aorta				J Med Chem 34: 2919-22 (1991) BindingDB Entry DOI: 10.7270/Q26Q20H6
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123300 (US8742110, 6-18) Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(OCc3ccccc3)cccc12 Show InChI InChI=1S/C33H35N3O5/c1-23(2)35-20-26(30-28(35)9-6-10-29(30)40-21-24-7-4-3-5-8-24)19-34-17-15-33(16-18-34)22-36(32(39)41-33)27-13-11-25(12-14-27)31(37)38/h3-14,20,23H,15-19,21-22H2,1-2H3,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.225	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123254 (US8742110, 4-18) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(C(O)=O)c(OC)c3)CC2)c(cc1C)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C31H31F3N2O6/c1-4-41-25-14-19(23(13-18(25)2)21-7-8-24(32)28(34)27(21)33)16-35-11-9-31(10-12-35)17-36(30(39)42-31)20-5-6-22(29(37)38)26(15-20)40-3/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.228	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123271 (US8742110, 5-7) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2c(OC)ccc(Cl)c12 Show InChI InChI=1S/C28H29ClN2O6/c1-3-36-24-15-18(14-21-23(35-2)9-8-22(29)25(21)24)16-30-12-10-28(11-13-30)17-31(27(34)37-28)20-6-4-19(5-7-20)26(32)33/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.233	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123255 (US8742110, 4-19) Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc4CCCc4cc3-c3cc(F)c(F)cc3F)CC2)OC1=O Show InChI InChI=1S/C30H27F3N2O4/c31-25-15-27(33)26(32)14-24(25)23-13-20-3-1-2-19(20)12-21(23)16-34-10-8-30(9-11-34)17-35(29(38)39-30)22-6-4-18(5-7-22)28(36)37/h4-7,12-15H,1-3,8-11,16-17H2,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.243	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123296 (US8742110, 6-14) Show SMILES CC(C)n1nc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C32H34N4O5/c1-22(2)36-29-13-12-26(40-20-23-6-4-3-5-7-23)18-27(29)28(33-36)19-34-16-14-32(15-17-34)21-35(31(39)41-32)25-10-8-24(9-11-25)30(37)38/h3-13,18,22H,14-17,19-21H2,1-2H3,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123252 (US8742110, 4-16) Show SMILES CC(C)Oc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1cc(F)c(F)cc1F Show InChI InChI=1S/C30H29F3N2O5/c1-18(2)39-22-7-8-23(24-14-26(32)27(33)15-25(24)31)20(13-22)16-34-11-9-30(10-12-34)17-35(29(38)40-30)21-5-3-19(4-6-21)28(36)37/h3-8,13-15,18H,9-12,16-17H2,1-2H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.272	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50229912 (CHEMBL315104) Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C25H25N7/c1-4-7-22-27-23-16(2)14-17(3)26-25(23)32(22)15-18-10-12-19(13-11-18)20-8-5-6-9-21(20)24-28-30-31-29-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,28,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Exploratory Chemistry Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin receptor from rabbit aorta				J Med Chem 34: 2919-22 (1991) BindingDB Entry DOI: 10.7270/Q26Q20H6
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50009718 (2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Exploratory Chemistry Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin receptor from rabbit aorta				J Med Chem 34: 2919-22 (1991) BindingDB Entry DOI: 10.7270/Q26Q20H6
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123277 (US8742110, 5-13) Show SMILES Cc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2c1OCCC2(C)C Show InChI InChI=1S/C27H32N2O5/c1-18-14-19(15-22-23(18)33-13-10-26(22,2)3)16-28-11-8-27(9-12-28)17-29(25(32)34-27)21-6-4-20(5-7-21)24(30)31/h4-7,14-15H,8-13,16-17H2,1-3H3,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.317	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123227 (US8742110, 3-12) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)-c3nnn[nH]3)CC2)cc(OCC)c1-c1ccc(F)cc1 Show InChI InChI=1S/C31H33FN6O4/c1-3-40-26-17-21(18-27(41-4-2)28(26)22-5-9-24(32)10-6-22)19-37-15-13-31(14-16-37)20-38(30(39)42-31)25-11-7-23(8-12-25)29-33-35-36-34-29/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,33,34,35,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.323	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123306 (US8742110, 6-24) Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2cc(ccc12)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C32H30F3N3O4/c1-19(2)37-17-22(25-15-21(5-10-27(25)37)24-8-9-26(33)29(35)28(24)34)16-36-13-11-32(12-14-36)18-38(31(41)42-32)23-6-3-20(4-7-23)30(39)40/h3-10,15,17,19H,11-14,16,18H2,1-2H3,(H,39,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.342	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123234 (US8742110, 3-19) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3Cl)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1 Show InChI InChI=1S/C31H32ClFN2O6/c1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-8-23(33)9-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)25-10-7-22(29(36)37)17-24(25)32/h5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.359	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123264 (US8742110, 4-28) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-n1cc(C)cn1 Show InChI InChI=1S/C28H32N4O5/c1-4-36-25-14-22(24(13-20(25)3)32-16-19(2)15-29-32)17-30-11-9-28(10-12-30)18-31(27(35)37-28)23-7-5-21(6-8-23)26(33)34/h5-8,13-16H,4,9-12,17-18H2,1-3H3,(H,33,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.395	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123257 (US8742110, 4-21) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3F)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C30H28F4N2O5/c1-3-40-25-14-19(21(12-17(25)2)20-5-6-22(31)27(34)26(20)33)15-35-10-8-30(9-11-35)16-36(29(39)41-30)24-7-4-18(28(37)38)13-23(24)32/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.397	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123250 (US8742110, 4-14) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-c1ccc(F)nc1 Show InChI InChI=1S/C29H30FN3O5/c1-3-37-25-15-22(24(14-19(25)2)21-6-9-26(30)31-16-21)17-32-12-10-29(11-13-32)18-33(28(36)38-29)23-7-4-20(5-8-23)27(34)35/h4-9,14-16H,3,10-13,17-18H2,1-2H3,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.407	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123243 (US8742110, 4-7) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C30H29F3N2O5/c1-3-39-25-15-20(23(14-18(25)2)22-8-9-24(31)27(33)26(22)32)16-34-12-10-30(11-13-34)17-35(29(38)40-30)21-6-4-19(5-7-21)28(36)37/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.409	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123179 (US8742110, 1-28) Show SMILES CC(C)(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C28H30ClFN4O4/c1-27(2,3)34-16-20(24(31-34)19-6-9-23(30)22(29)14-19)15-32-12-10-28(11-13-32)17-33(26(37)38-28)21-7-4-18(5-8-21)25(35)36/h4-9,14,16H,10-13,15,17H2,1-3H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.421	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123272 (US8742110, 5-8) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2cnc(cc12)C(F)(F)F Show InChI InChI=1S/C27H26F3N3O5/c1-2-37-22-12-17(11-19-14-31-23(13-21(19)22)27(28,29)30)15-32-9-7-26(8-10-32)16-33(25(36)38-26)20-5-3-18(4-6-20)24(34)35/h3-6,11-14H,2,7-10,15-16H2,1H3,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.424	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123236 (US8742110, 3-21) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3F)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1 Show InChI InChI=1S/C31H32F2N2O6/c1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-8-23(32)9-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)25-10-7-22(29(36)37)17-24(25)33/h5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.437	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123245 (US8742110, 4-9) Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(ccc3-c3ccc(F)c(F)c3F)C(F)(F)F)CC2)OC1=O Show InChI InChI=1S/C28H22F6N2O4/c29-22-8-7-21(23(30)24(22)31)20-6-3-18(28(32,33)34)13-17(20)14-35-11-9-27(10-12-35)15-36(26(39)40-27)19-4-1-16(2-5-19)25(37)38/h1-8,13H,9-12,14-15H2,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.439	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123258 (US8742110, 4-22) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3Cl)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C30H28ClF3N2O5/c1-3-40-25-14-19(21(12-17(25)2)20-5-6-23(32)27(34)26(20)33)15-35-10-8-30(9-11-35)16-36(29(39)41-30)24-7-4-18(28(37)38)13-22(24)31/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.468	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123244 (US8742110, 4-8) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3C)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C31H31F3N2O5/c1-4-40-26-15-21(23(14-19(26)3)22-6-7-24(32)28(34)27(22)33)16-35-11-9-31(10-12-35)17-36(30(39)41-31)25-8-5-20(29(37)38)13-18(25)2/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.474	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123239 (US8742110, 4-3) Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)cc1F Show InChI InChI=1S/C29H28F2N2O5/c1-2-37-23-8-10-24(25-9-5-21(30)16-26(25)31)20(15-23)17-32-13-11-29(12-14-32)18-33(28(36)38-29)22-6-3-19(4-7-22)27(34)35/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50229914 (CHEMBL98907) Show SMILES CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C26H27N7/c1-4-5-10-23-28-24-17(2)15-18(3)27-26(24)33(23)16-19-11-13-20(14-12-19)21-8-6-7-9-22(21)25-29-31-32-30-25/h6-9,11-15H,4-5,10,16H2,1-3H3,(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Exploratory Chemistry Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin receptor from rabbit aorta				J Med Chem 34: 2919-22 (1991) BindingDB Entry DOI: 10.7270/Q26Q20H6
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123240 (US8742110, 4-4) Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H28F2N2O5/c1-2-37-23-8-9-24(20-5-10-25(30)26(31)16-20)21(15-23)17-32-13-11-29(12-14-32)18-33(28(36)38-29)22-6-3-19(4-7-22)27(34)35/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.502	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123242 (US8742110, 4-6) Show SMILES CC(C)Oc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C30H29F3N2O5/c1-18(2)39-22-7-8-23(24-9-10-25(31)27(33)26(24)32)20(15-22)16-34-13-11-30(12-14-34)17-35(29(38)40-30)21-5-3-19(4-6-21)28(36)37/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.546	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123307 (US8742110, 6-25) Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2cc(Br)ccc12 Show InChI InChI=1S/C26H28BrN3O4/c1-17(2)29-15-19(22-13-20(27)5-8-23(22)29)14-28-11-9-26(10-12-28)16-30(25(33)34-26)21-6-3-18(4-7-21)24(31)32/h3-8,13,15,17H,9-12,14,16H2,1-2H3,(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123241 (US8742110, 4-5) Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C29H27F3N2O5/c1-2-38-21-7-8-22(23-9-10-24(30)26(32)25(23)31)19(15-21)16-33-13-11-29(12-14-33)17-34(28(37)39-29)20-5-3-18(4-6-20)27(35)36/h3-10,15H,2,11-14,16-17H2,1H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.556	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123180 (US8742110, 1-29) Show SMILES CC(C)(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)-c3nnn[nH]3)CC2)c(n1)-c1cc(F)c(Cl)cc1F Show InChI InChI=1S/C28H29ClF2N8O2/c1-27(2,3)39-15-18(24(34-39)20-12-23(31)21(29)13-22(20)30)14-37-10-8-28(9-11-37)16-38(26(40)41-28)19-6-4-17(5-7-19)25-32-35-36-33-25/h4-7,12-13,15H,8-11,14,16H2,1-3H3,(H,32,33,35,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.582	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123256 (US8742110, 4-20) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H30F3N3O5/c1-3-40-25-15-22(24(14-19(25)2)21-6-9-26(34-16-21)30(31,32)33)17-35-12-10-29(11-13-35)18-36(28(39)41-29)23-7-4-20(5-8-23)27(37)38/h4-9,14-16H,3,10-13,17-18H2,1-2H3,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.632	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123269 (US8742110, 5-5) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2c(OC)cc(Cl)cc12 Show InChI InChI=1S/C28H29ClN2O6/c1-3-36-25-13-18(12-22-23(25)14-20(29)15-24(22)35-2)16-30-10-8-28(9-11-30)17-31(27(34)37-28)21-6-4-19(5-7-21)26(32)33/h4-7,12-15H,3,8-11,16-17H2,1-2H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123266 (US8742110, 5-2) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2c(OC)cccc12 Show InChI InChI=1S/C28H30N2O6/c1-3-35-25-16-19(15-23-22(25)5-4-6-24(23)34-2)17-29-13-11-28(12-14-29)18-30(27(33)36-28)21-9-7-20(8-10-21)26(31)32/h4-10,15-16H,3,11-14,17-18H2,1-2H3,(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.704	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123311 (US8742110, 6-29) Show SMILES COc1ccc(cc1)-c1nc(sc1CN1CCC2(CN(C(=O)O2)c2ccc(cc2)C(O)=O)CC1)C(C)(C)C Show InChI InChI=1S/C29H33N3O5S/c1-28(2,3)26-30-24(19-7-11-22(36-4)12-8-19)23(38-26)17-31-15-13-29(14-16-31)18-32(27(35)37-29)21-9-5-20(6-10-21)25(33)34/h5-12H,13-18H2,1-4H3,(H,33,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.705	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123176 (US8742110, 1-25) Show SMILES CC1(C)C2CCC(C2)C1n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(n1)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C33H35F3N4O4/c1-32(2)22-6-3-20(15-22)29(32)40-17-21(28(37-40)24-9-10-25(34)27(36)26(24)35)16-38-13-11-33(12-14-38)18-39(31(43)44-33)23-7-4-19(5-8-23)30(41)42/h4-5,7-10,17,20,22,29H,3,6,11-16,18H2,1-2H3,(H,41,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.740	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123216 (US8742110, 3-1) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1 Show InChI InChI=1S/C31H33FN2O6/c1-3-38-26-17-21(18-27(39-4-2)28(26)22-5-9-24(32)10-6-22)19-33-15-13-31(14-16-33)20-34(30(37)40-31)25-11-7-23(8-12-25)29(35)36/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.768	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123237 (US8742110, 4-1) Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1cc(F)c(F)cc1F Show InChI InChI=1S/C29H27F3N2O5/c1-2-38-21-7-8-22(23-14-25(31)26(32)15-24(23)30)19(13-21)16-33-11-9-29(10-12-33)17-34(28(37)39-29)20-5-3-18(4-6-20)27(35)36/h3-8,13-15H,2,9-12,16-17H2,1H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.793	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383916 (CHEMBL2031657) Show SMILES O=c1[nH]nc(o1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:31:24:27.28:30,THB:23:24:27.28:30| Show InChI InChI=1S/C31H27N3O3/c35-30-34-33-29(37-30)26-15-14-25(36-19-24-13-11-21-6-4-5-9-28(21)32-24)17-27(26)31(22-7-2-1-3-8-22)18-20-10-12-23(31)16-20/h1-9,11,13-15,17,20,23H,10,12,16,18-19H2,(H,34,35)/t20-,23-,31+/m0/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123298 (US8742110, 6-16) Show SMILES COc1ccc2c(CN3CCC4(CN(C(=O)O4)c4ccc(cc4)C(O)=O)CC3)cn(C(C)C)c2c1 Show InChI InChI=1S/C27H31N3O5/c1-18(2)29-16-20(23-9-8-22(34-3)14-24(23)29)15-28-12-10-27(11-13-28)17-30(26(33)35-27)21-6-4-19(5-7-21)25(31)32/h4-9,14,16,18H,10-13,15,17H2,1-3H3,(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.851	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123226 (US8742110, 3-11) Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cn3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1 Show InChI InChI=1S/C30H32FN3O6/c1-3-38-24-15-20(16-25(39-4-2)27(24)21-5-8-23(31)9-6-21)18-33-13-11-30(12-14-33)19-34(29(37)40-30)26-10-7-22(17-32-26)28(35)36/h5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.941	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123153 (US8742110, 1-2) Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cn(nc3-c3ccc(F)c(Cl)c3)C3CCCCC3)CC2)OC1=O Show InChI InChI=1S/C30H32ClFN4O4/c31-25-16-21(8-11-26(25)32)27-22(18-36(33-27)24-4-2-1-3-5-24)17-34-14-12-30(13-15-34)19-35(29(39)40-30)23-9-6-20(7-10-23)28(37)38/h6-11,16,18,24H,1-5,12-15,17,19H2,(H,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.943	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123267 (US8742110, 5-3) Show SMILES CCOc1cccc2c(OCC)cc(CN3CCC4(CN(C(=O)O4)c4ccc(cc4)C(O)=O)CC3)cc12 Show InChI InChI=1S/C29H32N2O6/c1-3-35-25-7-5-6-23-24(25)16-20(17-26(23)36-4-2)18-30-14-12-29(13-15-30)19-31(28(34)37-29)22-10-8-21(9-11-22)27(32)33/h5-11,16-17H,3-4,12-15,18-19H2,1-2H3,(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123249 (US8742110, 4-13) Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(C(O)=O)c(C)c3)CC2)c1)-c1ccc(F)c(F)c1F Show InChI InChI=1S/C30H29F3N2O5/c1-3-39-21-5-7-23(24-8-9-25(31)27(33)26(24)32)19(15-21)16-34-12-10-30(11-13-34)17-35(29(38)40-30)20-4-6-22(28(36)37)18(2)14-20/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.983	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50009719 (7-Methyl-2-propyl-3-[2'-(2H-tetrazol-5-yl)-bipheny...) Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7/c1-3-6-21-26-22-16(2)13-14-25-24(22)31(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Exploratory Chemistry Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin receptor from rabbit aorta				J Med Chem 34: 2919-22 (1991) BindingDB Entry DOI: 10.7270/Q26Q20H6
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM123302 (US8742110, 6-20) Show SMILES CCCn1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2ccc(OC)cc12 Show InChI InChI=1S/C27H31N3O5/c1-3-12-29-17-20(23-9-8-22(34-2)15-24(23)29)16-28-13-10-27(11-14-28)18-30(26(33)35-27)21-6-4-19(5-7-21)25(31)32/h4-9,15,17H,3,10-14,16,18H2,1-2H3,(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.06	n/a	n/a	n/a	n/a	7.8	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...				US Patent US8742110 (2014) BindingDB Entry DOI: 10.7270/Q26H4G39
					More data for this Ligand-Target Pair

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