Compile Data Set for Download or QSAR

Found 11608 hits with Last Name = 'bi' and Initial = 'h'   

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
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50235302 (CHEMBL4099771) Show SMILES CN(CCCNC(=O)CNC(=O)Nc1ccc2sc(Cl)c(-c3cccnc3C)c2c1)[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12 |r,wU:30.32,(40.26,-16.4,;40.26,-17.94,;41.59,-18.71,;42.93,-17.94,;44.26,-18.71,;45.59,-17.94,;46.93,-18.71,;46.93,-20.25,;48.26,-17.94,;49.59,-18.71,;50.93,-17.94,;50.93,-16.4,;52.26,-18.71,;53.6,-17.95,;53.59,-16.41,;54.92,-15.64,;56.26,-16.41,;57.73,-15.93,;58.64,-17.18,;60.18,-17.18,;57.73,-18.43,;58.21,-19.89,;57.17,-21.03,;57.65,-22.5,;59.16,-22.82,;60.19,-21.66,;59.71,-20.2,;60.74,-19.06,;56.26,-17.95,;54.93,-18.72,;38.93,-18.71,;37.59,-17.93,;36.26,-18.71,;36.26,-20.25,;37.59,-21.01,;38.93,-20.24,;37.59,-22.55,;38.93,-23.31,;38.93,-24.86,;37.6,-25.63,;36.26,-24.86,;34.8,-25.34,;33.89,-24.1,;34.79,-22.85,;36.26,-23.32,)| Show InChI InChI=1S/C32H36ClN9O2S/c1-20-23(7-3-11-34-20)28-25-16-21(8-9-26(25)45-29(28)33)40-32(44)37-17-27(43)35-12-5-14-41(2)22-6-4-15-42(18-22)31-24-10-13-36-30(24)38-19-39-31/h3,7-11,13,16,19,22H,4-6,12,14-15,17-18H2,1-2H3,(H,35,43)(H,36,38,39)(H2,37,40,44)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Competitive inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by...				ACS Med Chem Lett 8: 338-343 (2017) Article DOI: 10.1021/acsmedchemlett.6b00519 BindingDB Entry DOI: 10.7270/Q2WW7KZW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50095105 (4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O8S2/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50095105 (4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O8S2/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.				Bioorg Med Chem Lett 10: 2727-30 (2000) BindingDB Entry DOI: 10.7270/Q2V40TGZ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...				Bioorg Med Chem Lett 24: 845-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.089 BindingDB Entry DOI: 10.7270/Q2FJ2J84
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476758 (US10870660, Compound III-024 | US11345716, Compoun...) Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)C1=O |r,wU:15.16,wD:12.12,(12.04,-1.54,;11.27,-.21,;9.74,-.05,;9.42,1.46,;10.75,2.23,;10.75,3.77,;9.42,4.54,;8.09,3.77,;8.09,2.23,;6.75,1.46,;6.75,-.08,;5.42,2.23,;4.08,1.46,;2.75,2.23,;1.42,1.46,;1.42,-.08,;.08,-.85,;-1.25,-.08,;-2.58,-.85,;-2.47,-2.39,;-3.6,-3.43,;-5.12,-3.21,;-5.89,-4.54,;-7.43,-4.54,;-8.2,-3.21,;-9.74,-3.21,;-10.51,-1.87,;-12.05,-1.87,;-12.82,-.54,;-12.05,-3.41,;-13.38,-2.64,;-7.43,-1.87,;-5.89,-1.87,;-5.33,-.44,;-3.86,.02,;2.75,-.85,;4.08,-.08,;11.9,1.2,;13.38,1.6,)| Show InChI InChI=1S/C30H38F2N4O3/c1-30(31,32)19-39-27-11-8-21-13-16-36(17-14-26(21)34-27)15-12-20-6-9-22(10-7-20)33-28(37)23-4-3-5-24-25(23)18-35(2)29(24)38/h3-5,8,11,20,22H,6-7,9-10,12-19H2,1-2H3,(H,33,37)/t20-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50075098 (CHEMBL3414626 | US10143704, Compound A2 | US944606...) Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1 |r,wU:24.27,22.24,10.11,8.8,wD:5.4,7.12,(-.55,4.43,;-1.02,5.57,;-2.24,5.73,;-.08,6.8,;1.45,6.59,;2.04,5.17,;1.23,3.86,;2.24,2.7,;3.65,3.27,;4.7,2.61,;3.54,4.8,;4.48,5.6,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.56,;-1.03,-2.79,;-2.38,-.77,;-2.38,.77,;-1.03,1.56,;.3,.77,;-.67,8.22,;-.05,9.59,;-1.48,10.19,;-2.06,11.61,;-1.11,12.83,;-1.7,14.26,;-.89,15.53,;-1.87,16.71,;-1.63,18.24,;-2.86,19.2,;-4.29,18.63,;-4.52,17.09,;-3.29,16.14,;-3.19,14.61,;-2.65,20.73,;-1.51,21.19,;-3.62,21.48,;-2.48,21.95,;-2.07,8.77,)| Show InChI InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Competitive inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by...				ACS Med Chem Lett 8: 338-343 (2017) Article DOI: 10.1021/acsmedchemlett.6b00519 BindingDB Entry DOI: 10.7270/Q2WW7KZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476918 (US10870660, Compound II-057) Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1 |r,wU:16.18,wD:13.14,(12.43,-1.54,;11.66,-.21,;10.13,-.05,;9.81,1.46,;8.48,2.23,;8.48,3.77,;9.81,4.54,;11.14,3.77,;11.14,2.23,;12.29,1.2,;7.14,1.46,;7.14,-.08,;5.81,2.23,;4.47,1.46,;3.14,2.23,;1.81,1.46,;1.81,-.08,;.47,-.85,;-.86,-.08,;-2.19,-.85,;-2.08,-2.39,;-3.21,-3.43,;-4.73,-3.21,;-5.5,-4.54,;-7.04,-4.54,;-7.81,-3.21,;-9.35,-3.21,;-10.12,-1.87,;-11.66,-1.87,;-12.43,-.54,;-12.43,-3.21,;-7.04,-1.87,;-5.5,-1.87,;-4.94,-.44,;-3.47,.02,;3.14,-.85,;4.47,-.08,)| Show InChI InChI=1S/C28H35F2N5O2/c1-34-17-23-22(3-2-4-25(23)33-34)28(36)31-21-8-5-19(6-9-21)11-14-35-15-12-20-7-10-27(37-18-26(29)30)32-24(20)13-16-35/h2-4,7,10,17,19,21,26H,5-6,8-9,11-16,18H2,1H3,(H,31,36)/t19-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593894 (US11578084, Compound I'-42) Show SMILES Cn1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)n1 |r,wU:12.12,wD:9.8,(13.38,2.02,;11.84,2.02,;11.03,.71,;9.54,1.08,;9.42,2.61,;8.09,3.38,;6.75,2.61,;6.75,1.07,;5.42,3.38,;4.09,2.61,;2.75,3.38,;1.42,2.61,;1.42,1.07,;.09,.3,;-1.25,1.07,;-2.58,.3,;-2.47,-1.23,;-3.6,-2.28,;-5.12,-2.05,;-5.89,-3.38,;-7.43,-3.38,;-8.2,-2.05,;-9.74,-2.05,;-10.51,-.72,;-12.05,-.72,;-12.82,.62,;-12.05,-2.26,;-13.38,-1.49,;-7.43,-.72,;-5.89,-.72,;-5.33,.72,;-3.85,1.17,;2.75,.3,;4.09,1.07,;10.85,3.2,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50447327 (CHEMBL3114495) Show SMILES CC(C)N1CCN(CC1)c1c(F)cccc1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C Show InChI InChI=1S/C38H53FN6O3S/c1-26(2)41-21-23-43(24-22-41)34-29(10-8-11-30(34)39)36-45(20-16-38(3,4)5)35(47)32(49-36)25-33(46)42-17-14-28(15-18-42)44-19-13-27-9-6-7-12-31(27)40-37(44)48/h6-12,26,28,32,36H,13-25H2,1-5H3,(H,40,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...				Bioorg Med Chem Lett 24: 845-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.089 BindingDB Entry DOI: 10.7270/Q2FJ2J84
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476915 (US10870660, Compound II-047) Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)C1=O |r,wU:15.16,wD:12.12,(11.97,-.99,;11.2,.35,;9.67,.51,;9.35,2.02,;10.68,2.79,;10.68,4.33,;9.35,5.1,;8.02,4.33,;8.02,2.79,;6.68,2.02,;6.68,.48,;5.35,2.79,;4.02,2.02,;2.68,2.79,;1.35,2.02,;1.35,.48,;.01,-.29,;-1.32,.48,;-2.65,-.29,;-3.86,.67,;-5.36,.32,;-6.03,-1.06,;-7.55,-1.27,;-7.83,-2.79,;-9.16,-3.56,;-10.49,-2.79,;-11.83,-3.56,;-11.83,-5.1,;-13.16,-4.33,;-13.16,-2.79,;-6.47,-3.52,;-5.36,-2.45,;-3.86,-2.79,;-2.65,-1.83,;2.68,-.29,;4.02,.48,;11.83,1.76,;13.16,2.53,)| Show InChI InChI=1S/C27H33F3N4O3S/c1-33-15-21-19(3-2-4-20(21)25(33)36)24(35)31-18-7-5-17(6-8-18)9-12-34-13-10-22-23(11-14-34)38-26(32-22)37-16-27(28,29)30/h2-4,17-18H,5-16H2,1H3,(H,31,35)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593791 (US11578084, Compound I-074) Show SMILES Cn1cc(\C=C\C(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)cn1 |r,wU:12.13,wD:9.8,12.12,(13.61,4.08,;12.07,4.08,;11.17,2.83,;9.7,3.31,;8.37,2.54,;7.04,3.31,;5.7,2.54,;5.7,1,;4.37,3.31,;3.04,2.54,;1.7,3.31,;.37,2.54,;.37,1,;.37,-.54,;-.97,.23,;-2.3,1,;-3.63,.23,;-4.99,.96,;-6.4,.35,;-6.81,-1.2,;-8.28,-1.68,;-8.28,-3.22,;-9.61,-3.99,;-10.95,-3.22,;-12.28,-3.99,;-13.61,-3.22,;-13.05,-5.32,;-11.51,-5.32,;-6.81,-3.69,;-5.91,-2.45,;-4.37,-2.45,;-3.36,-1.29,;1.7,.23,;3.04,1,;9.7,4.85,;11.17,5.32,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476764 (US10870660, Compound III-064 | US11345716, Compoun...) Show SMILES CC(Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4C(=O)N(C)Cc34)CCc2s1)C(F)(F)F |r,wU:11.10,wD:14.17,(-10.47,-1.44,;-10.47,-2.98,;-9.14,-3.75,;-7.8,-2.98,;-7.64,-1.44,;-6.14,-1.12,;-5.57,.31,;-4.1,.76,;-2.83,-.1,;-1.5,.67,;-.16,-.1,;1.17,.67,;1.17,2.21,;2.5,2.98,;3.84,2.21,;3.84,.67,;2.5,-.1,;5.17,2.98,;6.51,2.21,;6.51,.67,;7.84,2.98,;7.84,4.52,;9.17,5.29,;10.51,4.52,;10.51,2.98,;11.65,1.95,;13.14,2.34,;11.02,.54,;11.79,-.8,;9.49,.7,;9.17,2.21,;-2.71,-1.64,;-3.84,-2.69,;-5.37,-2.46,;-6.4,-3.6,;-11.8,-3.75,;-13.14,-2.98,;-11.8,-5.29,;-13.14,-4.52,)| Show InChI InChI=1S/C28H35F3N4O3S/c1-17(28(29,30)31)38-27-33-23-11-14-35(15-12-24(23)39-27)13-10-18-6-8-19(9-7-18)32-25(36)20-4-3-5-21-22(20)16-34(2)26(21)37/h3-5,17-19H,6-16H2,1-2H3,(H,32,36)/t17?,18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593940 (US11578084, Compound III-3) Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)on1 |r,wU:11.12,wD:8.7,11.11,(13.49,2.1,;11.95,2.1,;10.92,3.24,;9.52,2.61,;8.18,3.38,;6.85,2.61,;6.85,1.07,;5.52,3.38,;4.18,2.61,;2.85,3.38,;1.51,2.61,;1.51,1.07,;1.51,-.47,;.18,.3,;-1.15,1.07,;-2.49,.3,;-2.37,-1.23,;-3.5,-2.28,;-5.02,-2.05,;-5.79,-3.38,;-7.33,-3.38,;-8.1,-2.05,;-9.64,-2.05,;-10.41,-.72,;-11.95,-.72,;-12.72,.62,;-13.49,-.72,;-12.72,-2.05,;-7.33,-.72,;-5.79,-.72,;-5.23,.72,;-3.76,1.17,;2.85,.3,;4.18,1.07,;9.68,1.08,;11.18,.76,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593929 (US11578084, Compound I-157) Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)on1 |r,wU:11.12,wD:11.11,8.7,(13.46,1.84,;11.92,1.84,;11.01,3.09,;9.55,2.61,;8.22,3.38,;6.88,2.61,;6.88,1.07,;5.55,3.38,;4.22,2.61,;2.88,3.38,;1.55,2.61,;1.55,1.07,;1.55,-.47,;.21,.3,;-1.12,1.07,;-2.45,.3,;-2.34,-1.23,;-3.47,-2.28,;-4.99,-2.05,;-5.76,-3.38,;-7.3,-3.38,;-8.07,-2.05,;-9.61,-2.05,;-10.38,-.72,;-11.92,-.72,;-12.69,.62,;-12.69,-2.05,;-13.46,-.72,;-7.3,-.72,;-5.76,-.72,;-5.2,.72,;-3.73,1.17,;2.88,.3,;4.22,1.07,;9.55,1.07,;11.01,.6,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50110523 (1-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-eth...) Show SMILES C[C@@H](N1CCN(C[C@H]1C)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H34N2O4S/c1-19-17-27(22-6-4-3-5-7-22)14-15-28(19)20(2)21-8-10-23(11-9-21)33(29,30)24-12-13-25-26(16-24)32-18-31-25/h8-13,16,19-20,22H,3-7,14-15,17-18H2,1-2H3/t19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against human cloned Muscarinic acetylcholine receptor M2.				Bioorg Med Chem Lett 12: 791-4 (2002) BindingDB Entry DOI: 10.7270/Q2VH5N5J
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50110539 (1-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-eth...) Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H34N2O4S/c1-19-17-27(22-6-4-3-5-7-22)14-15-28(19)20(2)21-8-10-23(11-9-21)33(29,30)24-12-13-25-26(16-24)32-18-31-25/h8-13,16,19-20,22H,3-7,14-15,17-18H2,1-2H3/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against human cloned Muscarinic acetylcholine receptor M2.				Bioorg Med Chem Lett 12: 791-4 (2002) BindingDB Entry DOI: 10.7270/Q2VH5N5J
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50447325 (CHEMBL3114676) Show SMILES CC(C)(C)CCN1[C@H](S[C@@H](CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O)c1cccc(F)c1N1CCN(CC1)C(C)(C)C |r| Show InChI InChI=1S/C39H55FN6O3S/c1-38(2,3)17-21-46-35(48)32(50-36(46)29-11-9-12-30(40)34(29)43-22-24-44(25-23-43)39(4,5)6)26-33(47)42-18-15-28(16-19-42)45-20-14-27-10-7-8-13-31(27)41-37(45)49/h7-13,28,32,36H,14-26H2,1-6H3,(H,41,49)/t32-,36+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...				Bioorg Med Chem Lett 24: 845-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.089 BindingDB Entry DOI: 10.7270/Q2FJ2J84
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50451113 (CHEMBL2114068) Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 |r| Show InChI InChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 10: 2209-12 (2001) BindingDB Entry DOI: 10.7270/Q24T6HMP
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50095111 (4-{(4R,5R)-2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phe...) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(O[C@H](C)[C@@H](C)O1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H40N2O8S/c1-4-37-30(34)33-17-13-25(14-18-33)32-15-11-24(12-16-32)31(40-21(2)22(3)41-31)23-5-7-26(8-6-23)42(35,36)27-9-10-28-29(19-27)39-20-38-28/h5-10,19,21-22,24-25H,4,11-18,20H2,1-3H3/t21-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.				Bioorg Med Chem Lett 10: 2727-30 (2000) BindingDB Entry DOI: 10.7270/Q2V40TGZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50095097 (4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(SCCS1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6S4/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.				Bioorg Med Chem Lett 10: 2727-30 (2000) BindingDB Entry DOI: 10.7270/Q2V40TGZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593840 (US11578084, Compound I-123 | US11578084, Compound ...) Show SMILES CC(Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4nn(C)cc34)CCc2n1)C(F)F |r,wU:12.11,wD:15.18,(-7.95,5.11,;-9.28,4.34,;-9.28,2.8,;-7.95,2.03,;-7.95,.49,;-6.62,-.28,;-5.28,.49,;-4.08,-.47,;-2.58,-.13,;-1.91,1.26,;-.37,1.26,;.4,-.07,;1.94,-.07,;2.71,1.26,;4.25,1.26,;5.02,-.07,;4.25,-1.41,;2.71,-1.41,;6.56,-.07,;7.33,-1.41,;6.56,-2.74,;8.87,-1.41,;9.64,-.07,;11.18,-.07,;11.95,-1.41,;11.18,-2.74,;11.66,-4.21,;10.41,-5.11,;10.41,-6.65,;9.17,-4.21,;9.64,-2.74,;-2.58,2.65,;-4.08,2.99,;-5.28,2.03,;-6.62,2.8,;-10.62,5.11,;-11.95,4.34,;-10.62,6.65,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593735 (US11578084, Compound I-018) Show SMILES Cc1nnc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)s1 |r,wU:12.13,wD:9.8,12.12,(13.36,1.84,;11.82,1.84,;10.91,.6,;9.45,1.07,;9.45,2.61,;8.11,3.38,;6.78,2.61,;6.78,1.07,;5.45,3.38,;4.11,2.61,;2.78,3.38,;1.44,2.61,;1.44,1.07,;1.44,-.47,;.11,.3,;-1.22,1.07,;-2.56,.3,;-2.44,-1.23,;-3.57,-2.28,;-5.09,-2.05,;-5.86,-3.38,;-7.4,-3.38,;-8.17,-2.05,;-9.71,-2.05,;-10.48,-.72,;-12.02,-.72,;-12.79,.62,;-12.02,-2.26,;-13.36,-1.49,;-7.4,-.72,;-5.86,-.72,;-5.3,.72,;-3.83,1.17,;2.78,.3,;4.11,1.07,;10.91,3.09,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476836 (US10870660, Compound III-581 | US11345716, Compoun...) Show SMILES Cc1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)no1 |r,wU:12.12,wD:9.8,(13.67,2.46,;12.13,2.46,;11.22,1.21,;9.76,1.69,;8.42,.92,;7.09,1.69,;5.76,.92,;5.76,-.62,;4.42,1.69,;3.09,.92,;1.76,1.69,;.42,.92,;.42,-.62,;-.91,-1.39,;-2.25,-.62,;-3.58,-1.39,;-3.58,-2.93,;-4.91,-3.7,;-6.25,-2.93,;-7.71,-3.41,;-8.62,-2.16,;-7.71,-.92,;-6.25,-1.39,;-4.91,-.62,;-10.16,-2.16,;-11.24,-1.07,;-12.33,-2.16,;-13.67,-1.39,;-13.67,-2.93,;-11.24,-3.25,;1.76,-1.39,;3.09,-.62,;9.76,3.23,;11.22,3.7,)| Show InChI InChI=1S/C23H31F2N5O3S/c1-15-10-21(28-33-15)32-12-20(31)26-17-4-2-16(3-5-17)6-8-29-9-7-19-18(11-29)27-22(34-19)30-13-23(24,25)14-30/h10,16-17H,2-9,11-14H2,1H3,(H,26,31)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593733 (US11578084, Compound I-016) Show SMILES Cn1cc2c(cccc2n1)C(=O)NN1CCC(CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50110534 (1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@@H](C)N1CCN([C@@H](C)C1)C1CCCCC1 Show InChI InChI=1S/C26H36N2O3S/c1-20-19-27(17-18-28(20)23-7-5-4-6-8-23)21(2)22-9-13-25(14-10-22)32(29,30)26-15-11-24(31-3)12-16-26/h9-16,20-21,23H,4-8,17-19H2,1-3H3/t20-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against human cloned Muscarinic acetylcholine receptor M2.				Bioorg Med Chem Lett 12: 791-4 (2002) BindingDB Entry DOI: 10.7270/Q2VH5N5J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593890 (US11578084, Compound I'-38) Show SMILES Cn1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)n1 |r,wU:12.12,wD:9.8,(13.14,2.67,;11.6,2.67,;10.79,1.36,;9.29,1.72,;9.18,3.26,;7.84,4.03,;6.51,3.26,;6.51,1.72,;5.17,4.03,;3.84,3.26,;2.51,4.03,;1.17,3.26,;1.17,1.72,;-.16,.95,;-1.49,1.72,;-2.83,.95,;-4.1,1.82,;-5.57,1.36,;-6.13,-.07,;-7.64,-.39,;-7.8,-1.92,;-9.14,-2.69,;-10.47,-1.92,;-11.8,-2.69,;-13.14,-1.92,;-12.57,-4.03,;-11.03,-4.03,;-6.4,-2.55,;-5.36,-1.41,;-3.84,-1.64,;-2.71,-.59,;2.51,.95,;3.84,1.72,;10.6,3.84,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593802 (US11578084, Compound I-085) Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)on1 |r,wU:12.13,wD:9.8,12.12,(13.46,.51,;12.69,1.84,;11.15,1.84,;10.24,3.09,;8.78,2.61,;7.45,3.38,;6.11,2.61,;6.11,1.07,;4.78,3.38,;3.45,2.61,;2.11,3.38,;.78,2.61,;.78,1.07,;.78,-.47,;-.56,.3,;-1.89,1.07,;-3.22,.3,;-3.11,-1.23,;-4.24,-2.28,;-5.76,-2.05,;-6.53,-3.38,;-8.07,-3.38,;-8.84,-2.05,;-10.38,-2.05,;-11.15,-.72,;-12.69,-.72,;-13.46,.62,;-13.46,-2.05,;-8.07,-.72,;-6.53,-.72,;-5.97,.72,;-4.5,1.17,;2.11,.3,;3.45,1.07,;8.78,1.07,;10.24,.6,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593765 (US11578084, Compound I-048) Show SMILES FC(F)c1ncccc1C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)(F)F)sc3CC2)CC1 |r,wU:15.16,wD:12.12,(10.19,-4.77,;9.42,-3.44,;7.88,-3.44,;10.19,-2.1,;11.73,-2.1,;12.5,-.77,;11.73,.56,;10.19,.56,;9.42,-.77,;7.88,-.77,;7.11,-2.1,;7.11,.56,;5.57,.56,;4.8,1.9,;3.26,1.9,;2.49,.56,;.95,.56,;.18,1.9,;-1.36,1.9,;-2.03,.51,;-3.53,.17,;-4.74,1.13,;-6.2,.65,;-7.11,1.9,;-8.65,1.9,;-9.42,3.23,;-10.96,3.23,;-12.5,3.23,;-10.96,4.77,;-10.96,1.69,;-6.2,3.14,;-4.74,2.67,;-3.53,3.63,;-2.03,3.28,;3.26,-.77,;4.8,-.77,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476923 (US10870660, Compound II-081 | US11345716, Compound...) Show SMILES CCn1c(cccc1=O)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)CC1 |r,wU:15.16,wD:12.12,(11.5,-.85,;10.17,-.08,;10.17,1.46,;8.84,2.23,;8.84,3.77,;10.17,4.54,;11.5,3.77,;11.5,2.23,;12.84,1.46,;7.5,1.46,;7.5,-.08,;6.17,2.23,;4.84,1.46,;3.5,2.23,;2.17,1.46,;2.17,-.08,;.84,-.85,;-.5,-.08,;-1.83,-.85,;-1.72,-2.39,;-2.85,-3.43,;-4.37,-3.21,;-5.14,-4.54,;-6.68,-4.54,;-7.45,-3.21,;-8.99,-3.21,;-9.76,-1.87,;-11.3,-1.87,;-12.07,-.54,;-12.07,-3.21,;-12.84,-1.87,;-6.68,-1.87,;-5.14,-1.87,;-4.58,-.44,;-3.1,.02,;3.5,-.85,;4.84,-.08,)| Show InChI InChI=1S/C27H35F3N4O3/c1-2-34-23(4-3-5-25(34)35)26(36)31-21-9-6-19(7-10-21)12-15-33-16-13-20-8-11-24(32-22(20)14-17-33)37-18-27(28,29)30/h3-5,8,11,19,21H,2,6-7,9-10,12-18H2,1H3,(H,31,36)/t19-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143320 ((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...) Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Federal Institute of Technology Zurich Curated by ChEMBL					Assay Description Displacement of [3H]-cytisine from Alpha4-beta2 Nicotinic acetylcholine receptor of rat brain homogenates				J Med Chem 48: 5123-30 (2005) Article DOI: 10.1021/jm040881a BindingDB Entry DOI: 10.7270/Q2PR7ZQ2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50171347 (3-(Azetidin-2-ylmethoxy)-pyridine | A-85380 | CHEM...) Show SMILES C(Oc1cccnc1)C1CCN1 Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Federal Institute of Technology Zurich Curated by ChEMBL					Assay Description Displacement of [3H]-cytisine from Alpha4-beta2 Nicotinic acetylcholine receptor of rat brain homogenates				J Med Chem 48: 5123-30 (2005) Article DOI: 10.1021/jm040881a BindingDB Entry DOI: 10.7270/Q2PR7ZQ2
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM312809 (1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...) Show SMILES COc1ccc2c(nc(C(N)=O)n2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r| Show InChI InChI=1S/C22H20N4O4/c1-25-11-10-22(29,21(25)28)9-8-14-4-3-5-15(12-14)18-17-7-6-16(30-2)13-26(17)20(24-18)19(23)27/h3-7,12-13,29H,10-11H2,1-2H3,(H2,23,27)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476834 (US10870660, Compound III-578 | US11345716, Compoun...) Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)on1 |r,wU:12.12,wD:9.8,(13.39,2.49,;12.62,1.15,;11.08,1.15,;10.17,2.4,;8.71,1.93,;7.37,2.69,;6.04,1.93,;6.04,.38,;4.7,2.69,;3.37,1.93,;2.04,2.69,;.7,1.93,;.7,.38,;-.63,-.38,;-1.96,.38,;-3.3,-.38,;-3.3,-1.93,;-4.63,-2.69,;-5.96,-1.93,;-7.43,-2.4,;-8.33,-1.15,;-7.43,.09,;-5.96,-.38,;-4.63,.38,;-9.87,-1.15,;-10.96,-.07,;-12.05,-1.15,;-13.39,-.38,;-13.39,-1.93,;-10.96,-2.24,;2.04,-.38,;3.37,.38,;8.71,.38,;10.17,-.09,)| Show InChI InChI=1S/C23H31F2N5O3S/c1-32-21-11-17(33-28-21)10-20(31)26-16-4-2-15(3-5-16)6-8-29-9-7-19-18(12-29)27-22(34-19)30-13-23(24,25)14-30/h11,15-16H,2-10,12-14H2,1H3,(H,26,31)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476858 (US10870660, Compound III-706 | US11345716, Compoun...) Show SMILES Cc1nc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)cs1 |r,wU:12.12,wD:9.8,(12.75,4.37,;11.98,3.04,;10.51,2.56,;10.51,1.02,;9.18,.25,;7.84,1.02,;6.51,.25,;6.51,-1.29,;5.18,1.02,;3.84,.25,;2.53,1.02,;1.19,.25,;1.19,-1.29,;-.14,-2.06,;-1.48,-1.29,;-2.81,-2.06,;-2.79,-3.6,;-4.13,-4.37,;-5.46,-3.6,;-6.92,-4.08,;-7.83,-2.83,;-6.92,-1.58,;-5.46,-2.06,;-4.13,-1.29,;-9.37,-2.83,;-10.46,-1.74,;-11.55,-2.83,;-12.88,-2.06,;-12.88,-3.6,;-10.46,-3.92,;2.53,-2.06,;3.86,-1.29,;11.98,.54,;12.88,1.79,)| Show InChI InChI=1S/C24H31F2N5OS2/c1-16-27-19(13-33-16)6-7-22(32)28-18-4-2-17(3-5-18)8-10-30-11-9-21-20(12-30)29-23(34-21)31-14-24(25,26)15-31/h6-7,13,17-18H,2-5,8-12,14-15H2,1H3,(H,28,32)/b7-6+/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476924 (US10870660, Compound II-084 | US11345716, Compound...) Show SMILES CN(CC(F)(F)F)c1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3cnc(C)s3)CCc2s1 |r,wU:15.14,wD:18.21,(-9.24,-3.94,;-9.24,-2.4,;-10.58,-1.63,;-11.91,-2.4,;-13.24,-3.17,;-12.68,-1.07,;-11.14,-3.73,;-7.91,-1.63,;-7.64,-.12,;-6.11,.09,;-5.44,1.48,;-3.94,1.82,;-2.74,.86,;-1.4,1.63,;-.07,.86,;1.27,1.63,;1.27,3.17,;2.6,3.94,;3.93,3.17,;3.93,1.63,;2.6,.86,;5.27,3.94,;6.6,3.17,;6.6,1.63,;7.93,3.94,;9.27,3.17,;9.43,1.64,;10.93,1.32,;11.7,2.65,;13.24,2.65,;10.67,3.8,;-2.74,-.68,;-3.94,-1.64,;-5.44,-1.3,;-6.55,-2.36,)| Show InChI InChI=1S/C24H34F3N5OS2/c1-16-28-14-19(34-16)13-22(33)29-18-5-3-17(4-6-18)7-10-32-11-8-20-21(9-12-32)35-23(30-20)31(2)15-24(25,26)27/h14,17-18H,3-13,15H2,1-2H3,(H,29,33)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476773 (US10870660, Compound III-138 | US11345716, Compoun...) Show SMILES Cn1cc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1 |r,wU:12.12,wD:9.8,(12.71,6.09,;11.94,4.76,;10.47,4.28,;10.47,2.74,;9.14,1.97,;7.81,2.74,;6.47,1.97,;6.47,.43,;5.14,2.74,;3.81,1.97,;2.47,2.74,;1.14,1.97,;1.14,.43,;-.2,-.34,;-1.53,.43,;-2.86,-.34,;-4.22,.39,;-5.63,-.21,;-6.04,-1.77,;-7.51,-2.24,;-7.51,-3.78,;-8.84,-4.55,;-10.18,-3.78,;-11.51,-4.55,;-12.84,-3.78,;-11.51,-6.09,;-12.84,-5.32,;-6.04,-4.26,;-5.14,-3.01,;-3.6,-3.01,;-2.59,-1.85,;2.47,-.34,;3.81,.43,;11.94,2.27,;12.84,3.51,)| Show InChI InChI=1S/C24H32F3N5O2S/c1-31-15-18(14-28-31)4-7-22(33)29-19-5-2-17(3-6-19)8-11-32-12-9-20-21(10-13-32)35-23(30-20)34-16-24(25,26)27/h4,7,14-15,17,19H,2-3,5-6,8-13,16H2,1H3,(H,29,33)/b7-4+/t17-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50451114 (CHEMBL2115128) Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 |r| Show InChI InChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 10: 2209-12 (2001) BindingDB Entry DOI: 10.7270/Q24T6HMP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476914 (US10870660, Compound II-041) Show SMILES COc1cc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)on1 |r,wU:13.13,wD:10.9,(14.13,4.44,;13.36,3.1,;11.82,3.1,;10.91,1.86,;9.45,2.33,;8.11,1.56,;6.78,2.33,;5.45,1.56,;5.45,.02,;4.11,2.33,;2.78,1.56,;1.44,2.33,;.11,1.56,;.11,.02,;-1.22,-.75,;-2.56,.02,;-3.89,-.75,;-3.77,-2.28,;-4.9,-3.33,;-6.43,-3.1,;-7.2,-4.44,;-8.74,-4.44,;-9.51,-3.1,;-11.05,-3.1,;-11.82,-1.77,;-13.36,-1.77,;-14.13,-.43,;-14.13,-3.1,;-8.74,-1.77,;-7.2,-1.77,;-6.63,-.33,;-5.16,.12,;1.44,-.75,;2.78,.02,;9.45,3.87,;10.91,4.35,)| Show InChI InChI=1S/C26H34F2N4O4/c1-34-26-16-21(36-31-26)7-8-24(33)29-20-5-2-18(3-6-20)10-13-32-14-11-19-4-9-25(35-17-23(27)28)30-22(19)12-15-32/h4,7-9,16,18,20,23H,2-3,5-6,10-15,17H2,1H3,(H,29,33)/b8-7+/t18-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593764 (US11578084, Compound I-047) Show SMILES COC(CN1CCc2sc(OCC(C)(F)F)nc2C1)C1CC2(CC(C2)NC(=O)c2cccc3nn(C)cc23)C1 |(1.42,-3.91,;-.07,-3.51,;-.47,-2.03,;-1.96,-1.63,;-3.05,-2.72,;-2.57,-4.18,;-3.6,-5.33,;-5.11,-5.01,;-6.35,-5.91,;-7.6,-5.01,;-8.93,-5.78,;-10.02,-4.69,;-11.51,-5.09,;-12.6,-4,;-11.11,-6.57,;-12.6,-6.18,;-7.12,-3.54,;-5.58,-3.54,;-4.55,-2.4,;.62,-.94,;.62,.6,;2.16,.6,;3.7,.6,;3.7,2.14,;2.16,2.14,;4.79,3.23,;6.27,2.83,;6.67,1.34,;7.36,3.92,;6.74,5.33,;7.64,6.57,;9.17,6.41,;9.8,5.01,;11.27,4.53,;11.27,2.99,;12.6,2.22,;9.8,2.51,;8.9,3.76,;2.16,-.94,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476925 (US10870660, Compound II-087) Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1 |r| Show InChI InChI=1S/C27H32F3N5O3/c1-34-15-22-21(3-2-4-24(22)33-34)26(36)31-19-6-7-20(37-16-19)10-13-35-12-9-18-5-8-25(32-23(18)11-14-35)38-17-27(28,29)30/h2-5,8,15,19-20H,6-7,9-14,16-17H2,1H3,(H,31,36)/t19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50332270 ((R)-3-((4-((6-methoxy-1-oxoisoindolin-2-yl)methyl)...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccc(c3)C#N)C(=O)c2c1 |r| Show InChI InChI=1S/C22H16N4O4/c1-30-17-6-5-16-12-26(19(27)18(16)10-17)13-22(20(28)24-21(29)25-22)8-7-14-3-2-4-15(9-14)11-23/h2-6,9-10H,12-13H2,1H3,(H2,24,25,28,29)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 7283-7 (2010) Article DOI: 10.1016/j.bmcl.2010.10.081 BindingDB Entry DOI: 10.7270/Q2Z89CP0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM593734 (US11578084, Compound I-017) Show SMILES Cn1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)cn1 |r,wU:11.12,wD:8.7,11.11,(13.36,1.84,;11.82,1.84,;10.91,3.09,;9.45,2.61,;8.11,3.38,;6.78,2.61,;6.78,1.07,;5.45,3.38,;4.11,2.61,;2.78,3.38,;1.44,2.61,;1.44,1.07,;1.44,-.47,;.11,.3,;-1.22,1.07,;-2.56,.3,;-2.44,-1.23,;-3.57,-2.28,;-5.09,-2.05,;-5.86,-3.38,;-7.4,-3.38,;-8.17,-2.05,;-9.71,-2.05,;-10.48,-.72,;-12.02,-.72,;-12.79,.62,;-12.02,-2.26,;-13.36,-1.49,;-7.4,-.72,;-5.86,-.72,;-5.3,.72,;-3.83,1.17,;2.78,.3,;4.11,1.07,;9.45,1.07,;10.91,.6,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9V1Q
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100717 (2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...) Show SMILES C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Federal Institute of Technology Zurich Curated by ChEMBL					Assay Description Displacement of [3H]-cytisine from Alpha4-beta2 Nicotinic acetylcholine receptor of rat brain homogenates				J Med Chem 48: 5123-30 (2005) Article DOI: 10.1021/jm040881a BindingDB Entry DOI: 10.7270/Q2PR7ZQ2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100717 (2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...) Show SMILES C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Federal Institute of Technology Zurich Curated by ChEMBL					Assay Description Displacement of [3H]-cytisine from Alpha4-beta2 Nicotinic acetylcholine receptor of rat brain homogenates				J Med Chem 48: 5123-30 (2005) Article DOI: 10.1021/jm040881a BindingDB Entry DOI: 10.7270/Q2PR7ZQ2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476759 (US10870660, Compound III-027 | US11345716, Compoun...) Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(C)(F)F)nc3CC2)CC1 |r,wU:16.18,wD:13.14,(12.71,-1.54,;11.94,-.21,;10.41,-.05,;10.09,1.46,;8.76,2.23,;8.76,3.77,;10.09,4.54,;11.42,3.77,;11.42,2.23,;12.57,1.2,;7.42,1.46,;7.42,-.08,;6.09,2.23,;4.76,1.46,;3.42,2.23,;2.09,1.46,;2.09,-.08,;.76,-.85,;-.58,-.08,;-1.91,-.85,;-1.8,-2.39,;-2.93,-3.43,;-4.45,-3.21,;-5.22,-4.54,;-6.76,-4.54,;-7.53,-3.21,;-9.07,-3.21,;-9.84,-1.87,;-11.38,-1.87,;-12.15,-.54,;-11.38,-3.41,;-12.71,-2.64,;-6.76,-1.87,;-5.22,-1.87,;-4.66,-.44,;-3.18,.02,;3.42,-.85,;4.76,-.08,)| Show InChI InChI=1S/C29H37F2N5O2/c1-29(30,31)19-38-27-11-8-21-13-16-36(17-14-25(21)33-27)15-12-20-6-9-22(10-7-20)32-28(37)23-4-3-5-26-24(23)18-35(2)34-26/h3-5,8,11,18,20,22H,6-7,9-10,12-17,19H2,1-2H3,(H,32,37)/t20-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121132 ((4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1...) Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C34H38N2O7S/c1-24-4-2-3-5-30(24)33(37)36-18-14-27(15-19-36)35-16-12-26(13-17-35)34(42-20-21-43-34)25-6-8-28(9-7-25)44(38,39)29-10-11-31-32(22-29)41-23-40-31/h2-11,22,26-27H,12-21,23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476866 (US10870660, Compound II-053 | US11345716, Compound...) Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)s1 |r,wU:12.12,wD:9.8,(13.21,2.4,;11.67,2.4,;10.77,1.16,;9.3,1.63,;9.3,3.17,;7.97,3.94,;6.63,3.17,;6.63,1.63,;5.3,3.94,;3.97,3.17,;2.63,3.94,;1.3,3.17,;1.3,1.63,;-.03,.86,;-1.37,1.63,;-2.7,.86,;-3.91,1.82,;-5.41,1.48,;-6.08,.09,;-7.6,-.12,;-7.88,-1.63,;-9.21,-2.4,;-10.54,-1.63,;-11.88,-2.4,;-11.88,-3.94,;-13.21,-1.63,;-13.21,-3.17,;-6.52,-2.36,;-5.41,-1.3,;-3.91,-1.64,;-2.7,-.68,;2.63,.86,;3.97,1.63,;10.77,3.65,)| Show InChI InChI=1S/C23H31F3N4O2S2/c1-15-27-13-18(33-15)12-21(31)28-17-4-2-16(3-5-17)6-9-30-10-7-19-20(8-11-30)34-22(29-19)32-14-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50092313 (1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...) Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C26H35NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,20,22-23H,3-7,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M4				Bioorg Med Chem Lett 10: 2209-12 (2001) BindingDB Entry DOI: 10.7270/Q24T6HMP
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092959 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.				Bioorg Med Chem Lett 10: 2727-30 (2000) BindingDB Entry DOI: 10.7270/Q2V40TGZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50457816 (CHEMBL4215425) Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc3ccccc3c(n2)C(N)=O)C1=O |r| Show InChI InChI=1S/C23H19N3O3/c1-26-12-11-23(29,22(26)28)10-9-15-5-4-7-17(13-15)19-14-16-6-2-3-8-18(16)20(25-19)21(24)27/h2-8,13-14,29H,11-12H2,1H3,(H2,24,27)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ...				J Med Chem 61: 6801-6813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00678 BindingDB Entry DOI: 10.7270/Q2PV6P00
					More data for this Ligand-Target Pair

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