Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'riera' and Initial = 'a'   

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 2 (Homo sapiens (Human))	BDBM82547 (SRIF-D-Trp8) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,62-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR2 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM81767 (15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.00160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR2 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50192018 (CHEMBL3350037) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r| Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR2 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50495074 (CHEMBL3098601) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C\C=C/C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r,c:73| Show InChI InChI=1S/C78H107N19O18/c1-43(81)67(104)85-41-63(102)86-53-30-16-15-29-52(66(83)103)87-76(113)61(42-98)95-78(115)65(45(3)100)97-75(112)58(37-48-25-11-6-12-26-48)94-77(114)64(44(2)99)96-70(107)55(32-18-20-34-80)89-73(110)59(38-49-40-84-51-28-14-13-27-50(49)51)92-72(109)57(36-47-23-9-5-10-24-47)90-71(108)56(35-46-21-7-4-8-22-46)91-74(111)60(39-62(82)101)93-69(106)54(88-68(53)105)31-17-19-33-79/h4-16,21-28,40,43-45,52-61,64-65,84,98-100H,17-20,29-39,41-42,79-81H2,1-3H3,(H2,82,101)(H2,83,103)(H,85,104)(H,86,102)(H,87,113)(H,88,105)(H,89,110)(H,90,108)(H,91,111)(H,92,109)(H,93,106)(H,94,114)(H,95,115)(H,96,107)(H,97,112)/b16-15-/t43-,44+,45+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR5 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM81767 (15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR5 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 1 (Homo sapiens (Human))	BDBM50495074 (CHEMBL3098601) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C\C=C/C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r,c:73| Show InChI InChI=1S/C78H107N19O18/c1-43(81)67(104)85-41-63(102)86-53-30-16-15-29-52(66(83)103)87-76(113)61(42-98)95-78(115)65(45(3)100)97-75(112)58(37-48-25-11-6-12-26-48)94-77(114)64(44(2)99)96-70(107)55(32-18-20-34-80)89-73(110)59(38-49-40-84-51-28-14-13-27-50(49)51)92-72(109)57(36-47-23-9-5-10-24-47)90-71(108)56(35-46-21-7-4-8-22-46)91-74(111)60(39-62(82)101)93-69(106)54(88-68(53)105)31-17-19-33-79/h4-16,21-28,40,43-45,52-61,64-65,84,98-100H,17-20,29-39,41-42,79-81H2,1-3H3,(H2,82,101)(H2,83,103)(H,85,104)(H,86,102)(H,87,113)(H,88,105)(H,89,110)(H,90,108)(H,91,111)(H,92,109)(H,93,106)(H,94,114)(H,95,115)(H,96,107)(H,97,112)/b16-15-/t43-,44+,45+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR1 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 1 (Homo sapiens (Human))	BDBM82547 (SRIF-D-Trp8) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,62-,63-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR1 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50495074 (CHEMBL3098601) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C\C=C/C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r,c:73| Show InChI InChI=1S/C78H107N19O18/c1-43(81)67(104)85-41-63(102)86-53-30-16-15-29-52(66(83)103)87-76(113)61(42-98)95-78(115)65(45(3)100)97-75(112)58(37-48-25-11-6-12-26-48)94-77(114)64(44(2)99)96-70(107)55(32-18-20-34-80)89-73(110)59(38-49-40-84-51-28-14-13-27-50(49)51)92-72(109)57(36-47-23-9-5-10-24-47)90-71(108)56(35-46-21-7-4-8-22-46)91-74(111)60(39-62(82)101)93-69(106)54(88-68(53)105)31-17-19-33-79/h4-16,21-28,40,43-45,52-61,64-65,84,98-100H,17-20,29-39,41-42,79-81H2,1-3H3,(H2,82,101)(H2,83,103)(H,85,104)(H,86,102)(H,87,113)(H,88,105)(H,89,110)(H,90,108)(H,91,111)(H,92,109)(H,93,106)(H,94,114)(H,95,115)(H,96,107)(H,97,112)/b16-15-/t43-,44+,45+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR2 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 1 (Homo sapiens (Human))	BDBM81767 (15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR1 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM82547 (SRIF-D-Trp8) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,62-,63-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR5 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM81767 (15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR3 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM82547 (SRIF-D-Trp8) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,62-,63-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR3 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM81767 (15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR4 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50495074 (CHEMBL3098601) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C\C=C/C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r,c:73| Show InChI InChI=1S/C78H107N19O18/c1-43(81)67(104)85-41-63(102)86-53-30-16-15-29-52(66(83)103)87-76(113)61(42-98)95-78(115)65(45(3)100)97-75(112)58(37-48-25-11-6-12-26-48)94-77(114)64(44(2)99)96-70(107)55(32-18-20-34-80)89-73(110)59(38-49-40-84-51-28-14-13-27-50(49)51)92-72(109)57(36-47-23-9-5-10-24-47)90-71(108)56(35-46-21-7-4-8-22-46)91-74(111)60(39-62(82)101)93-69(106)54(88-68(53)105)31-17-19-33-79/h4-16,21-28,40,43-45,52-61,64-65,84,98-100H,17-20,29-39,41-42,79-81H2,1-3H3,(H2,82,101)(H2,83,103)(H,85,104)(H,86,102)(H,87,113)(H,88,105)(H,89,110)(H,90,108)(H,91,111)(H,92,109)(H,93,106)(H,94,114)(H,95,115)(H,96,107)(H,97,112)/b16-15-/t43-,44+,45+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR4 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50495074 (CHEMBL3098601) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C\C=C/C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r,c:73| Show InChI InChI=1S/C78H107N19O18/c1-43(81)67(104)85-41-63(102)86-53-30-16-15-29-52(66(83)103)87-76(113)61(42-98)95-78(115)65(45(3)100)97-75(112)58(37-48-25-11-6-12-26-48)94-77(114)64(44(2)99)96-70(107)55(32-18-20-34-80)89-73(110)59(38-49-40-84-51-28-14-13-27-50(49)51)92-72(109)57(36-47-23-9-5-10-24-47)90-71(108)56(35-46-21-7-4-8-22-46)91-74(111)60(39-62(82)101)93-69(106)54(88-68(53)105)31-17-19-33-79/h4-16,21-28,40,43-45,52-61,64-65,84,98-100H,17-20,29-39,41-42,79-81H2,1-3H3,(H2,82,101)(H2,83,103)(H,85,104)(H,86,102)(H,87,113)(H,88,105)(H,89,110)(H,90,108)(H,91,111)(H,92,109)(H,93,106)(H,94,114)(H,95,115)(H,96,107)(H,97,112)/b16-15-/t43-,44+,45+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR3 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM82547 (SRIF-D-Trp8) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,62-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR4 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50192018 (CHEMBL3350037) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r| Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR5 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50192018 (CHEMBL3350037) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r| Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR3 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Somatostatin receptor type 1 (Homo sapiens (Human))	BDBM50192018 (CHEMBL3350037) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r| Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR1 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM86234 (CAS_64057-70-1 | MDMA,S(+) | NSC_126235) Show SMILES CN[C@H](C)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50192018 (CHEMBL3350037) Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O |r| Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Displacement of [125I]-somatostatin from human SSTR4 expressed in CHO-K1 cells				Bioorg Med Chem Lett 24: 103-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.065 BindingDB Entry DOI: 10.7270/Q24X5BR2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50010588 ((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...) Show SMILES CNC(C)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM86234 (CAS_64057-70-1 | MDMA,S(+) | NSC_126235) Show SMILES CN[C@H](C)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in Sprague-Dawley rat cortex, striatum and cerebellum-dissected brain after 60 mins by scintillation counti...				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM86234 (CAS_64057-70-1 | MDMA,S(+) | NSC_126235) Show SMILES CN[C@H](C)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs by liquid scintillation spectrometri...				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50010588 ((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...) Show SMILES CNC(C)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs by liquid scintillation spectrometri...				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM50190644 (CHEMBL3983808) Show SMILES [H][C@]12CS\C(=N/CCCCCCCC)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r| Show InChI InChI=1S/C17H31N3O3S/c1-3-4-5-6-7-8-9-18-17-20-10-13(19-12(2)21)15(22)16(23)14(20)11-24-17/h13-16,22-23H,3-11H2,1-2H3,(H,19,21)/b18-17-/t13-,14+,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Barcelona Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of beta-hexosaminidase alpha in human skin fibroblast lysate using 4-MU-N-acetyl-beta-D-glucosaminide-6-sulfate sodium salt as substrate a...				Eur J Med Chem 121: 926-938 (2016) Article DOI: 10.1016/j.ejmech.2015.10.038 BindingDB Entry DOI: 10.7270/Q2542QJ5
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM50190645 (CHEMBL3982827) Show SMILES [H][C@]12CS\C(=N/c3ccccc3)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r| Show InChI InChI=1S/C15H19N3O3S/c1-9(19)16-11-7-18-12(14(21)13(11)20)8-22-15(18)17-10-5-3-2-4-6-10/h2-6,11-14,20-21H,7-8H2,1H3,(H,16,19)/b17-15-/t11-,12+,13-,14+/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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Barcelona Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of beta-hexosaminidase alpha in human skin fibroblast lysate using 4-MU-N-acetyl-beta-D-glucosaminide-6-sulfate sodium salt as substrate a...				Eur J Med Chem 121: 926-938 (2016) Article DOI: 10.1016/j.ejmech.2015.10.038 BindingDB Entry DOI: 10.7270/Q2542QJ5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM85332 (MDMA, R(-)) Show SMILES CN[C@@H](C)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.73E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs by liquid scintillation spectrometri...				Eur J Med Chem 81: 35-46 (2014) Article DOI: 10.1016/j.ejmech.2014.04.044 BindingDB Entry DOI: 10.7270/Q2Q52R5Z
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha/beta (Homo sapiens (Human))	BDBM50190645 (CHEMBL3982827) Show SMILES [H][C@]12CS\C(=N/c3ccccc3)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r| Show InChI InChI=1S/C15H19N3O3S/c1-9(19)16-11-7-18-12(14(21)13(11)20)8-22-15(18)17-10-5-3-2-4-6-10/h2-6,11-14,20-21H,7-8H2,1H3,(H,16,19)/b17-15-/t11-,12+,13-,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Barcelona Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of beta-hexosaminidase alpha/beta in human skin fibroblast lysate using 4-MU-(2-acetamido-2-deoxy)-beta-D-glucopyranoside as substrate ass...				Eur J Med Chem 121: 926-938 (2016) Article DOI: 10.1016/j.ejmech.2015.10.038 BindingDB Entry DOI: 10.7270/Q2542QJ5
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha/beta (Homo sapiens (Human))	BDBM50190644 (CHEMBL3983808) Show SMILES [H][C@]12CS\C(=N/CCCCCCCC)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r| Show InChI InChI=1S/C17H31N3O3S/c1-3-4-5-6-7-8-9-18-17-20-10-13(19-12(2)21)15(22)16(23)14(20)11-24-17/h13-16,22-23H,3-11H2,1-2H3,(H,19,21)/b18-17-/t13-,14+,15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Barcelona Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of beta-hexosaminidase alpha/beta in human skin fibroblast lysate using 4-MU-(2-acetamido-2-deoxy)-beta-D-glucopyranoside as substrate ass...				Eur J Med Chem 121: 926-938 (2016) Article DOI: 10.1016/j.ejmech.2015.10.038 BindingDB Entry DOI: 10.7270/Q2542QJ5
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM50190643 (CHEMBL3933402) Show SMILES CCCCCCCCNC(=S)N1C[C@H](NC(C)=O)[C@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C17H33N3O4S/c1-3-4-5-6-7-8-9-18-17(25)20-10-13(19-12(2)22)15(23)16(24)14(20)11-21/h13-16,21,23-24H,3-11H2,1-2H3,(H,18,25)(H,19,22)/t13-,14+,15-,16+/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	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Barcelona Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of beta-hexosaminidase alpha in human skin fibroblast lysate using 4-MU-N-acetyl-beta-D-glucosaminide-6-sulfate sodium salt as substrate a...				Eur J Med Chem 121: 926-938 (2016) Article DOI: 10.1016/j.ejmech.2015.10.038 BindingDB Entry DOI: 10.7270/Q2542QJ5
					More data for this Ligand-Target Pair