Compile Data Set for Download or QSAR

Found 1976 hits with Last Name = 'quin' and Initial = 'm'   

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
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50281126 (1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone |...) Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	0.00370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 3: 2619-2622 (1993) Article DOI: 10.1016/S0960-894X(01)80727-7 BindingDB Entry DOI: 10.7270/Q2VX0GF9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537072 (CHEMBL440072) Show SMILES C[C@@H](O)[C@H]1NC(=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 Show InChI InChI=1S/C63H88N16O16S2/c1-34(66)53(84)69-30-51(83)70-48-32-96-97-33-49(63(94)95)78-60(91)47(31-80)77-62(93)52(35(2)81)79-55(86)42(22-12-14-24-65)71-58(89)45(27-38-29-68-40-20-10-9-19-39(38)40)75-57(88)44(26-37-17-7-4-8-18-37)73-56(87)43(25-36-15-5-3-6-16-36)74-59(90)46(28-50(67)82)76-54(85)41(72-61(48)92)21-11-13-23-64/h3-10,15-20,29,34-35,41-49,52,68,80-81H,11-14,21-28,30-33,64-66H2,1-2H3,(H2,67,82)(H,69,84)(H,70,83)(H,71,89)(H,72,92)(H,73,87)(H,74,90)(H,75,88)(H,76,85)(H,77,93)(H,78,91)(H,79,86)(H,94,95)/t34-,35+,41+,42-,43+,44-,45+,46-,47-,48+,49-,52+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458766 (CHEMBL4212386) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c1 |r| Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	0.00680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to BMP1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate preincubated for 3 hrs followed by subs...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50281127 (2,2,2-Trifluoro-1-(3-isopropyl-phenyl)-ethanone | ...) Show SMILES CC(C)c1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H11F3O/c1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14/h3-7H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	0.00850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 3: 2619-2622 (1993) Article DOI: 10.1016/S0960-894X(01)80727-7 BindingDB Entry DOI: 10.7270/Q2VX0GF9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537063 (CHEMBL4590517) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(O)=O |r,t:17,19| Show InChI InChI=1S/C83H108ClN13O21S4/c1-44-18-17-24-65(115-9)83(113)39-64(116-81(112)95-83)45(2)71-82(5,118-71)66(38-68(101)97(7)62-35-50(32-44)36-63(114-8)69(62)84)117-80(111)46(3)96(6)67(100)29-31-119-120-43-61(79(109)110)93-77(107)60-42-122-121-41-59(91-72(102)54(86)33-48-19-11-10-12-20-48)76(106)89-57(34-49-25-27-52(99)28-26-49)74(104)90-58(37-51-40-87-55-22-14-13-21-53(51)55)75(105)88-56(23-15-16-30-85)73(103)94-70(47(4)98)78(108)92-60/h10-14,17-22,24-28,35-36,40,45-47,54,56-61,64-66,70-71,87,98-99,113H,15-16,23,29-34,37-39,41-43,85-86H2,1-9H3,(H,88,105)(H,89,106)(H,90,104)(H,91,102)(H,92,108)(H,93,107)(H,94,103)(H,95,112)(H,109,110)/b24-17+,44-18+/t45-,46+,47-,54-,56+,57+,58-,59+,60+,61+,64+,65-,66+,70+,71+,82-,83+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537069 (CHEMBL4584764) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSC(C)(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(N)=O |r,t:17,19| Show InChI InChI=1S/C85H113ClN14O20S4/c1-45-20-19-26-65(117-11)85(115)41-64(118-82(114)98-85)46(2)72-84(7,120-72)66(40-68(104)100(9)62-37-51(34-45)38-63(116-10)69(62)86)119-81(113)47(3)99(8)67(103)31-33-121-124-83(5,6)71(73(89)105)97-79(111)61-44-123-122-43-60(94-74(106)55(88)35-49-21-13-12-14-22-49)78(110)92-58(36-50-27-29-53(102)30-28-50)76(108)93-59(39-52-42-90-56-24-16-15-23-54(52)56)77(109)91-57(25-17-18-32-87)75(107)96-70(48(4)101)80(112)95-61/h12-16,19-24,26-30,37-38,42,46-48,55,57-61,64-66,70-72,90,101-102,115H,17-18,25,31-36,39-41,43-44,87-88H2,1-11H3,(H2,89,105)(H,91,109)(H,92,110)(H,93,108)(H,94,106)(H,95,112)(H,96,107)(H,97,111)(H,98,114)/b26-19+,45-20+/t46-,47+,48-,55-,57+,58+,59-,60+,61+,64+,65-,66+,70+,71-,72+,84-,85+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537066 (CHEMBL4541310) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r,t:17,19| Show InChI InChI=1S/C87H116ClN13O22S4/c1-47-20-18-26-68(120-10)87(118)43-67(121-85(117)99-87)48(2)75-86(6,123-75)69(42-71(106)101(8)65-39-54(36-47)40-66(119-9)72(65)88)122-84(116)49(3)100(7)70(105)31-35-125-124-34-19-33-90-60(37-52-21-12-11-13-22-52)77(108)95-63-45-126-127-46-64(81(112)98-74(51(5)103)83(114)115)96-82(113)73(50(4)102)97-76(107)59(25-16-17-32-89)92-79(110)62(41-55-44-91-58-24-15-14-23-57(55)58)94-78(109)61(93-80(63)111)38-53-27-29-56(104)30-28-53/h11-15,18,20-24,26-30,39-40,44,48-51,59-64,67-69,73-75,90-91,102-104,118H,16-17,19,25,31-38,41-43,45-46,89H2,1-10H3,(H,92,110)(H,93,111)(H,94,109)(H,95,108)(H,96,113)(H,97,107)(H,98,112)(H,99,117)(H,114,115)/b26-18+,47-20+/t48-,49+,50-,51-,59+,60-,61+,62-,63+,64+,67+,68-,69+,73+,74+,75+,86-,87+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537077 (CHEMBL4550617) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSCCOc1ccc(C[C@@H](N)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)cc1 |r,t:17,19| Show InChI InChI=1S/C86H114ClN13O23S4/c1-45-16-15-20-67(119-10)86(117)41-66(121-84(116)98-86)46(2)74-85(6,123-74)68(40-70(105)100(8)64-37-52(34-45)38-65(118-9)71(64)87)122-83(115)47(3)99(7)69(104)29-32-124-125-33-31-120-55-27-23-50(24-28-55)35-57(89)75(106)94-62-43-126-127-44-63(80(111)97-73(49(5)102)82(113)114)95-81(112)72(48(4)101)96-76(107)59(19-13-14-30-88)91-78(109)61(39-53-42-90-58-18-12-11-17-56(53)58)93-77(108)60(92-79(62)110)36-51-21-25-54(103)26-22-51/h11-12,15-18,20-28,37-38,42,46-49,57,59-63,66-68,72-74,90,101-103,117H,13-14,19,29-36,39-41,43-44,88-89H2,1-10H3,(H,91,109)(H,92,110)(H,93,108)(H,94,106)(H,95,112)(H,96,107)(H,97,111)(H,98,116)(H,113,114)/b20-15+,45-16+/t46-,47+,48-,49-,57-,59+,60+,61-,62+,63+,66+,67-,68+,72+,73+,74+,85-,86+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537076 (CHEMBL4564727) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1 |r,t:17,19| Show InChI InChI=1S/C83H110ClN13O20S4/c1-45-18-17-24-66(114-9)83(112)39-65(115-81(111)95-83)46(2)72-82(5,117-72)67(38-69(102)97(7)63-35-51(32-45)36-64(113-8)70(63)84)116-80(110)47(3)96(6)68(101)29-31-118-119-42-53(41-98)88-77(107)61-43-120-121-44-62(92-73(103)56(86)33-49-19-11-10-12-20-49)78(108)90-59(34-50-25-27-54(100)28-26-50)75(105)91-60(37-52-40-87-57-22-14-13-21-55(52)57)76(106)89-58(23-15-16-30-85)74(104)94-71(48(4)99)79(109)93-61/h10-14,17-22,24-28,35-36,40,46-48,53,56,58-62,65-67,71-72,87,98-100,112H,15-16,23,29-34,37-39,41-44,85-86H2,1-9H3,(H,88,107)(H,89,106)(H,90,108)(H,91,105)(H,92,103)(H,93,109)(H,94,104)(H,95,111)/b24-17+,45-18+/t46-,47+,48-,53-,56-,58+,59+,60-,61+,62+,65+,66-,67+,71+,72+,82-,83+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537061 (CHEMBL4527856) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(N)=O |r,t:17,19| Show InChI InChI=1S/C83H109ClN14O20S4/c1-44-18-17-24-65(115-9)83(113)39-64(116-81(112)96-83)45(2)71-82(5,118-71)66(38-68(102)98(7)62-35-50(32-44)36-63(114-8)69(62)84)117-80(111)46(3)97(6)67(101)29-31-119-120-41-59(72(87)103)92-78(109)61-43-122-121-42-60(93-73(104)54(86)33-48-19-11-10-12-20-48)77(108)90-57(34-49-25-27-52(100)28-26-49)75(106)91-58(37-51-40-88-55-22-14-13-21-53(51)55)76(107)89-56(23-15-16-30-85)74(105)95-70(47(4)99)79(110)94-61/h10-14,17-22,24-28,35-36,40,45-47,54,56-61,64-66,70-71,88,99-100,113H,15-16,23,29-34,37-39,41-43,85-86H2,1-9H3,(H2,87,103)(H,89,107)(H,90,108)(H,91,106)(H,92,109)(H,93,104)(H,94,110)(H,95,105)(H,96,112)/b24-17+,44-18+/t45-,46+,47-,54-,56+,57+,58-,59+,60+,61+,64+,65-,66+,70+,71+,82-,83+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Tolloid-like protein 1 (Homo sapiens)	BDBM50458766 (CHEMBL4212386) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c1 |r| Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to TLL1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tolloid-like protein 2 (Homo sapiens)	BDBM50458766 (CHEMBL4212386) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c1 |r| Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to TLL2 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50458771 (CHEMBL4214046) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)P(O)(O)=O |r| Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to BMP1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate preincubated for 3 hrs followed by subs...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537068 (CHEMBL4592483) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSCCNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1 |r,t:17,19| Show InChI InChI=1S/C82H108ClN13O19S4/c1-45-18-17-24-65(112-9)82(110)41-64(113-80(109)94-82)46(2)71-81(5,115-71)66(40-68(100)96(7)62-37-51(34-45)38-63(111-8)69(62)83)114-79(108)47(3)95(6)67(99)29-32-116-117-33-31-86-73(102)60-43-118-119-44-61(91-72(101)55(85)35-49-19-11-10-12-20-49)77(106)89-58(36-50-25-27-53(98)28-26-50)75(104)90-59(39-52-42-87-56-22-14-13-21-54(52)56)76(105)88-57(23-15-16-30-84)74(103)93-70(48(4)97)78(107)92-60/h10-14,17-22,24-28,37-38,42,46-48,55,57-61,64-66,70-71,87,97-98,110H,15-16,23,29-36,39-41,43-44,84-85H2,1-9H3,(H,86,102)(H,88,105)(H,89,106)(H,90,104)(H,91,101)(H,92,107)(H,93,103)(H,94,109)/b24-17+,45-18+/t46-,47+,48-,55-,57+,58+,59-,60+,61+,64+,65-,66+,70+,71+,81-,82+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537070 (CHEMBL4581874) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(N)=O |r,t:17,19| Show InChI InChI=1S/C86H115ClN14O20S4/c1-46-20-19-26-67(118-11)86(116)41-66(119-83(115)99-86)47(2)73-85(7,121-73)68(40-70(105)101(9)64-37-52(34-46)38-65(117-10)71(64)87)120-82(114)48(3)100(8)69(104)31-32-84(5,6)125-124-43-61(74(90)106)95-80(112)63-45-123-122-44-62(96-75(107)56(89)35-50-21-13-12-14-22-50)79(111)93-59(36-51-27-29-54(103)30-28-51)77(109)94-60(39-53-42-91-57-24-16-15-23-55(53)57)78(110)92-58(25-17-18-33-88)76(108)98-72(49(4)102)81(113)97-63/h12-16,19-24,26-30,37-38,42,47-49,56,58-63,66-68,72-73,91,102-103,116H,17-18,25,31-36,39-41,43-45,88-89H2,1-11H3,(H2,90,106)(H,92,110)(H,93,111)(H,94,109)(H,95,112)(H,96,107)(H,97,113)(H,98,108)(H,99,115)/b26-19+,46-20+/t47-,48+,49-,56-,58+,59+,60-,61+,62+,63+,66+,67-,68+,72+,73+,85-,86+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537074 (CHEMBL4556000) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSCCC(=O)NCCCC[C@@H]1N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)[C@@H](C)O |r,t:17,19| Show InChI InChI=1S/C84H111ClN12O19S2/c1-48-21-20-28-67(113-10)84(111)46-66(114-82(110)94-84)49(2)74-83(5,116-74)68(45-71(102)96(7)64-42-54(39-48)43-65(112-9)72(64)85)115-81(109)50(3)95(6)70(101)34-38-118-117-37-33-69(100)87-36-19-17-27-63-78(106)91-60(40-53-29-31-56(99)32-30-53)76(104)90-61(44-55-47-88-58-25-15-14-24-57(55)58)77(105)89-59(26-16-18-35-86)75(103)93-73(51(4)98)79(107)92-62(80(108)97(63)8)41-52-22-12-11-13-23-52/h11-15,20-25,28-32,42-43,47,49-51,59-63,66-68,73-74,88,98-99,111H,16-19,26-27,33-41,44-46,86H2,1-10H3,(H,87,100)(H,89,105)(H,90,104)(H,91,106)(H,92,107)(H,93,103)(H,94,110)/b28-20+,48-21+/t49-,50+,51-,59+,60+,61-,62+,63+,66+,67-,68+,73+,74+,83-,84+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537067 (CHEMBL4532058) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSCCNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)[C@@H](C)O |r,t:17,19| Show InChI InChI=1S/C86H115ClN14O21S4/c1-46-19-18-25-67(119-10)86(117)42-66(120-84(116)99-86)47(2)74-85(6,122-74)68(41-70(106)101(8)64-38-53(35-46)39-65(118-9)71(64)87)121-83(115)48(3)100(7)69(105)30-33-123-124-34-32-90-81(113)72(49(4)102)97-80(112)63-45-126-125-44-62(95-75(107)57(89)36-51-20-12-11-13-21-51)79(111)93-60(37-52-26-28-55(104)29-27-52)77(109)94-61(40-54-43-91-58-23-15-14-22-56(54)58)78(110)92-59(24-16-17-31-88)76(108)98-73(50(5)103)82(114)96-63/h11-15,18-23,25-29,38-39,43,47-50,57,59-63,66-68,72-74,91,102-104,117H,16-17,24,30-37,40-42,44-45,88-89H2,1-10H3,(H,90,113)(H,92,110)(H,93,111)(H,94,109)(H,95,107)(H,96,114)(H,97,112)(H,98,108)(H,99,116)/b25-18+,46-19+/t47-,48+,49-,50-,57-,59+,60+,61-,62+,63+,66+,67-,68+,72+,73+,74+,85-,86+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537062 (CHEMBL4549303) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O |r,t:17,19| Show InChI InChI=1S/C87H118ClN13O20S4/c1-49-23-21-31-70(118-10)87(116)44-69(119-85(115)99-87)50(2)76-86(6,121-76)71(43-73(106)101(8)67-40-56(37-49)41-68(117-9)74(67)88)120-84(114)51(3)100(7)72(105)32-36-123-122-35-22-34-90-61(38-54-24-13-11-14-25-54)78(108)96-65-47-124-125-48-66(82(112)95-64(46-102)52(4)103)97-83(113)75(53(5)104)98-77(107)60(30-19-20-33-89)92-80(110)63(42-57-45-91-59-29-18-17-28-58(57)59)94-79(109)62(93-81(65)111)39-55-26-15-12-16-27-55/h11-18,21,23-29,31,40-41,45,50-53,60-66,69-71,75-76,90-91,102-104,116H,19-20,22,30,32-39,42-44,46-48,89H2,1-10H3,(H,92,110)(H,93,111)(H,94,109)(H,95,112)(H,96,108)(H,97,113)(H,98,107)(H,99,115)/b31-21+,49-23+/t50-,51+,52-,53-,60+,61-,62+,63-,64-,65+,66+,69+,70-,71+,75+,76+,86-,87+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537064 (CHEMBL4563111) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CCCCCN2C(=O)CC(SCCCN[C@H](Cc3ccccc3)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4ccccc4)NC3=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)C2=O)C1=O |r,t:17,19| Show InChI InChI=1S/C123H167ClN20O29S4/c1-70(2)52-85(109(155)130-65-100(149)127-46-30-49-144-105(154)61-96(119(144)165)175-51-44-102(151)141(9)73(5)120(166)172-98-62-103(152)142(10)92-57-79(58-93(169-11)106(92)124)53-71(3)32-29-42-97(170-12)123(168)63-94(171-121(167)140-123)72(4)108-122(98,8)173-108)133-112(158)86(55-77-35-19-14-20-36-77)131-101(150)66-129-99(148)43-23-16-28-48-143-104(153)60-95(118(143)164)174-50-31-47-126-84(54-76-33-17-13-18-34-76)111(157)137-90-68-176-177-69-91(116(162)136-89(67-145)74(6)146)138-117(163)107(75(7)147)139-110(156)83(41-26-27-45-125)132-114(160)88(59-80-64-128-82-40-25-24-39-81(80)82)135-113(159)87(134-115(90)161)56-78-37-21-15-22-38-78/h13-15,17-22,24-25,29,32-40,42,57-58,64,70,72-75,83-91,94-98,107-108,126,128,145-147,168H,16,23,26-28,30-31,41,43-56,59-63,65-69,125H2,1-12H3,(H,127,149)(H,129,148)(H,130,155)(H,131,150)(H,132,160)(H,133,158)(H,134,161)(H,135,159)(H,136,162)(H,137,157)(H,138,163)(H,139,156)(H,140,167)/b42-29+,71-32+/t72-,73+,74-,75-,83+,84-,85+,86+,87+,88-,89-,90+,91+,94+,95?,96?,97-,98+,107+,108+,122-,123+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537075 (CHEMBL4548228) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CC(=O)NC[C@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N2)C(N)=O)C1=O |r,t:17,19| Show InChI InChI=1S/C89H115ClN16O23S3/c1-46-18-17-24-68(126-9)89(124)40-66(127-87(123)103-89)47(2)76-88(5,129-76)69(39-72(111)105(7)64-35-52(32-46)36-65(125-8)74(64)90)128-86(122)48(3)104(6)71(110)29-31-130-67-38-73(112)106(85(67)121)43-70(109)95-42-61(77(93)113)99-83(119)63-45-132-131-44-62(100-78(114)56(92)33-50-19-11-10-12-20-50)82(118)97-59(34-51-25-27-54(108)28-26-51)80(116)98-60(37-53-41-94-57-22-14-13-21-55(53)57)81(117)96-58(23-15-16-30-91)79(115)102-75(49(4)107)84(120)101-63/h10-14,17-22,24-28,35-36,41,47-49,56,58-63,66-69,75-76,94,107-108,124H,15-16,23,29-34,37-40,42-45,91-92H2,1-9H3,(H2,93,113)(H,95,109)(H,96,117)(H,97,118)(H,98,116)(H,99,119)(H,100,114)(H,101,120)(H,102,115)(H,103,123)/b24-17+,46-18+/t47-,48+,49-,56-,58+,59+,60-,61+,62+,63+,66+,67?,68-,69+,75+,76+,88-,89+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537071 (CHEMBL4581646) Show SMILES [H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(N)=O)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1 |r| Show InChI InChI=1S/C90H132N16O19S4/c1-14-52(6)76(71(123-12)45-72(109)106-39-25-33-70(106)78(124-13)53(7)80(112)95-54(8)77(110)58-28-19-16-20-29-58)104(10)89(121)73(50(2)3)102-88(120)75(51(4)5)105(11)90(122)125-40-41-126-127-47-67(79(93)111)99-86(118)69-49-129-128-48-68(100-81(113)62(92)42-56-26-17-15-18-27-56)85(117)97-65(43-57-34-36-60(108)37-35-57)83(115)98-66(44-59-46-94-63-31-22-21-30-61(59)63)84(116)96-64(32-23-24-38-91)82(114)103-74(55(9)107)87(119)101-69/h15-22,26-31,34-37,46,50-55,62,64-71,73-78,94,107-108,110H,14,23-25,32-33,38-45,47-49,91-92H2,1-13H3,(H2,93,111)(H,95,112)(H,96,116)(H,97,117)(H,98,115)(H,99,118)(H,100,113)(H,101,119)(H,102,120)(H,103,114)/t52-,53+,54+,55+,62+,64-,65-,66+,67-,68-,69-,70-,71+,73-,74-,75-,76-,77+,78+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537065 (CHEMBL4537192) Show SMILES [H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,t:17,19| Show InChI InChI=1S/C95H122ClN15O19S4/c1-53(2)82-91(122)107-73(89(120)103-68(84(98)115)45-60-49-100-65-27-16-14-25-63(60)65)52-134-133-51-72(90(121)104-70(42-58-31-33-62(112)34-32-58)87(118)105-71(46-61-50-101-66-28-17-15-26-64(61)66)88(119)102-67(85(116)108-82)29-18-19-36-97)106-86(117)69(41-57-23-12-11-13-24-57)99-37-21-38-131-132-39-35-79(113)110(7)56(5)92(123)129-78-47-80(114)111(8)74-43-59(44-75(126-9)81(74)96)40-54(3)22-20-30-77(127-10)95(125)48-76(128-93(124)109-95)55(4)83-94(78,6)130-83/h11-17,20,22-28,30-34,43-44,49-50,53,55-56,67-73,76-78,82-83,99-101,112,125H,18-19,21,29,35-42,45-48,51-52,97H2,1-10H3,(H2,98,115)(H,102,119)(H,103,120)(H,104,121)(H,105,118)(H,106,117)(H,107,122)(H,108,116)(H,109,124)/b30-20+,54-22+/t55-,56+,67+,68+,69-,70+,71-,72+,73+,76+,77-,78+,82+,83+,94-,95+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50565846 (CHEMBL4796315) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
Tolloid-like protein 1 (Homo sapiens)	BDBM50458771 (CHEMBL4214046) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)P(O)(O)=O |r| Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to TLL1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Tolloid-like protein 2 (Homo sapiens)	BDBM50458771 (CHEMBL4214046) Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)P(O)(O)=O |r| Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to TLL2 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...				ACS Med Chem Lett 9: 736-740 (2018) Article DOI: 10.1021/acsmedchemlett.8b00173 BindingDB Entry DOI: 10.7270/Q2X35127
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537078 (CHEMBL4577466) Show SMILES [H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)C(C)C |r| Show InChI InChI=1S/C94H141N15O19S4/c1-15-57(6)81(76(126-13)50-77(113)109-43-29-40-75(109)83(127-14)58(7)84(115)98-59(8)82(114)64-35-23-18-24-36-64)107(11)93(124)78(55(2)3)105-92(123)80(56(4)5)108(12)94(125)128-44-46-130-129-45-30-42-96-69(47-62-31-19-16-20-32-62)86(117)103-73-53-131-132-54-74(90(121)102-72(52-110)60(9)111)104-91(122)79(61(10)112)106-85(116)68(39-27-28-41-95)99-88(119)71(49-65-51-97-67-38-26-25-37-66(65)67)101-87(118)70(100-89(73)120)48-63-33-21-17-22-34-63/h16-26,31-38,51,55-61,68-76,78-83,96-97,110-112,114H,15,27-30,39-50,52-54,95H2,1-14H3,(H,98,115)(H,99,119)(H,100,120)(H,101,118)(H,102,121)(H,103,117)(H,104,122)(H,105,123)(H,106,116)/t57-,58+,59+,60+,61+,68-,69+,70-,71+,72+,73-,74-,75-,76+,78-,79-,80-,81-,82+,83+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50281123 (2,2,2-Trifluoro-1-(3-trifluoromethyl-phenyl)-ethan...) Show SMILES FC(F)(F)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C9H4F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 3: 2619-2622 (1993) Article DOI: 10.1016/S0960-894X(01)80727-7 BindingDB Entry DOI: 10.7270/Q2VX0GF9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50281124 (1-(3-Ethyl-phenyl)-2,2,2-trifluoro-ethanone | CHEM...) Show SMILES CCc1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H9F3O/c1-2-7-4-3-5-8(6-7)9(14)10(11,12)13/h3-6H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 3: 2619-2622 (1993) Article DOI: 10.1016/S0960-894X(01)80727-7 BindingDB Entry DOI: 10.7270/Q2VX0GF9
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50014619 (CHEMBL3184840) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537073 (CHEMBL4534477) Show SMILES [H][C@@]12C[C@H](OC)[C@@]3(C)C(=O)[C@H](OC)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OC(=O)OCCSSCCCN[C@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 |r,c:13| Show InChI InChI=1S/C100H131N11O26S4/c1-56-74(50-100(128)84(135-92(124)63-36-23-16-24-37-63)82-98(10,83(116)80(130-12)77(56)97(100,8)9)75(129-11)49-76-99(82,55-132-76)136-59(4)115)133-93(125)81(79(62-34-21-15-22-35-62)111-94(126)137-96(5,6)7)134-95(127)131-43-45-139-138-44-29-42-102-68(46-60-30-17-13-18-31-60)86(118)108-72-53-140-141-54-73(90(122)107-71(52-112)57(2)113)109-91(123)78(58(3)114)110-85(117)67(40-27-28-41-101)104-88(120)70(48-64-51-103-66-39-26-25-38-65(64)66)106-87(119)69(105-89(72)121)47-61-32-19-14-20-33-61/h13-26,30-39,51,57-58,67-76,78-82,84,102-103,112-114,128H,27-29,40-50,52-55,101H2,1-12H3,(H,104,120)(H,105,121)(H,106,119)(H,107,122)(H,108,118)(H,109,123)(H,110,117)(H,111,126)/t57-,58-,67+,68-,69+,70-,71-,72+,73+,74+,75+,76-,78+,79+,80-,81-,82+,84+,98-,99+,100-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007887 (3-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)n1c2ccccc2n(C)c1=O |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O2/c1-20-13-6-5-7-14(20)11-12(10-13)19-17(23)22-16-9-4-3-8-15(16)21(2)18(22)24/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50565847 (CHEMBL4780368) Show SMILES CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE KEGG PC cid PC sid UniChem	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50537060 (CHEMBL4575530) Show SMILES [H][C@@]12C[C@H](OC)[C@@]3(C)C(=O)[C@H](OC)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OC(=O)OCCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(N)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 |r,c:13| Show InChI InChI=1S/C96H122N12O26S4/c1-51-69(45-96(125)79(132-88(121)57-29-19-14-20-30-57)77-94(9,78(112)75(127-11)72(51)93(96,7)8)70(126-10)44-71-95(77,50-129-71)133-53(3)110)130-89(122)76(74(56-27-17-13-18-28-56)108-90(123)134-92(4,5)6)131-91(124)128-39-40-135-136-47-66(80(99)113)104-86(119)68-49-138-137-48-67(105-81(114)61(98)41-54-25-15-12-16-26-54)85(118)102-64(42-55-34-36-59(111)37-35-55)83(116)103-65(43-58-46-100-62-32-22-21-31-60(58)62)84(117)101-63(33-23-24-38-97)82(115)107-73(52(2)109)87(120)106-68/h12-22,25-32,34-37,46,52,61,63-71,73-77,79,100,109,111,125H,23-24,33,38-45,47-50,97-98H2,1-11H3,(H2,99,113)(H,101,117)(H,102,118)(H,103,116)(H,104,119)(H,105,114)(H,106,120)(H,107,115)(H,108,123)/t52-,61-,63+,64+,65-,66+,67+,68+,69+,70+,71-,73+,74+,75-,76-,77+,79+,94-,95+,96-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tarveda Therapeutics Curated by ChEMBL					Assay Description Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins				J Med Chem 62: 2708-2719 (2019) Article DOI: 10.1021/acs.jmedchem.8b02036 BindingDB Entry DOI: 10.7270/Q2NK3JJ9
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50565907 (CHEMBL4791583) Show SMILES CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007868 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)n1c2ccccc2[nH]c1=O |THB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N4O2/c1-20-12-5-4-6-13(20)10-11(9-12)18-16(22)21-15-8-3-2-7-14(15)19-17(21)23/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007879 (3-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCC1CC(C2)NC(=O)n1c2ccccc2n(C)c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C17H22N4O2/c1-19-12-7-8-13(19)10-11(9-12)18-16(22)21-15-6-4-3-5-14(15)20(2)17(21)23/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007884 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES O=C(NC1CN2CCC1CC2)n1c2ccccc2[nH]c1=O |THB:2:3:7.6:9.10,(2.42,-9.19,;3.37,-10.41,;4.89,-10.18,;6.01,-9.14,;6.78,-7.92,;8.5,-7.15,;8.22,-5.37,;7.26,-6.33,;7.67,-8.26,;9.25,-9.22,;10.05,-8.08,;2.77,-11.82,;1.29,-12.32,;-.02,-11.56,;-1.35,-12.33,;-1.35,-13.87,;-.02,-14.64,;1.32,-13.87,;2.8,-14.34,;3.7,-13.07,;5.24,-13.07,)| Show InChI InChI=1S/C15H18N4O2/c20-14-16-11-3-1-2-4-13(11)19(14)15(21)17-12-9-18-7-5-10(12)6-8-18/h1-4,10,12H,5-9H2,(H,16,20)(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007870 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCCC1CC(C2)OC(=O)n1c2ccccc2[nH]c1=O |THB:10:8:1:3.5.4| Show InChI InChI=1S/C17H21N3O3/c1-19-11-5-4-6-12(19)10-13(9-11)23-17(22)20-15-8-3-2-7-14(15)18-16(20)21/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007872 (3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...) Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17| Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50565914 (CHEMBL4797921) Show SMILES CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50281125 (2,2,2-Trifluoro-1-m-tolyl-ethanone | CHEMBL86868) Show SMILES Cc1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C9H7F3O/c1-6-3-2-4-7(5-6)8(13)9(10,11)12/h2-5H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 3: 2619-2622 (1993) Article DOI: 10.1016/S0960-894X(01)80727-7 BindingDB Entry DOI: 10.7270/Q2VX0GF9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007886 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCC1CC(C2)NC(=O)n1c2ccccc2[nH]c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C16H20N4O2/c1-19-11-6-7-12(19)9-10(8-11)17-15(21)20-14-5-3-2-4-13(14)18-16(20)22/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50565876 (CHEMBL4781348) Show SMILES CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50565911 (CHEMBL4790636) Show SMILES CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50565873 (CHEMBL4777690) Show SMILES CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50565880 (CHEMBL4794333) Show SMILES CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50565853 (CHEMBL4788436) Show SMILES CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50565878 (CHEMBL4797169) Show SMILES CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C2CCCCC2C[C@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01547 BindingDB Entry DOI: 10.7270/Q2V40ZZW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50586618 (CHEMBL5078775) Show SMILES Cc1cccc(c1)C(=O)n1cc2c(CCC(Br)(Br)C2=O)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human neutrophil elastase				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128380 BindingDB Entry DOI: 10.7270/Q28919SM
					More data for this Ligand-Target Pair

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