Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50002071   

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
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M1 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M5 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M2 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M4 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M3 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M1 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M4 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M2 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M3 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M5 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50453074 (CHEMBL4215958) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCC(=O)NCCc1ccc(O)c(c1)[C@H](CCN(C(C)C)C(C)C)c1ccccc1)OC(=O)CCCCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C89H160N3O20P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-47-88(96)109-76-82(112-89(97)48-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)77-111-113(98,99)110-74-73-108-72-71-107-70-69-106-68-67-105-66-65-104-64-63-103-62-61-102-60-59-101-58-57-100-56-54-91-87(95)46-40-36-39-45-86(94)90-53-51-80-49-50-85(93)84(75-80)83(81-43-37-35-38-44-81)52-55-92(78(3)4)79(5)6/h35,37-38,43-44,49-50,75,78-79,82-83,93H,7-34,36,39-42,45-48,51-74,76-77H2,1-6H3,(H,90,94)(H,91,95)(H,98,99)/t82-,83-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50453077 (CHEMBL4216478) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCC(=O)NCCc1ccc(O)c(c1)[C@H](CCN(C(C)C)C(C)C)c1ccccc1)OC(=O)CCCCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C93H168N3O22P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-47-92(100)115-80-86(118-93(101)48-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)81-117-119(102,103)116-78-77-114-76-75-113-74-73-112-72-71-111-70-69-110-68-67-109-66-65-108-64-63-107-62-61-106-60-59-105-58-57-104-56-54-95-91(99)46-40-36-39-45-90(98)94-53-51-84-49-50-89(97)88(79-84)87(85-43-37-35-38-44-85)52-55-96(82(3)4)83(5)6/h35,37-38,43-44,49-50,79,82-83,86-87,97H,7-34,36,39-42,45-48,51-78,80-81H2,1-6H3,(H,94,98)(H,95,99)(H,102,103)/t86-,87-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50453073 (CHEMBL4204282) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCC(=O)NCCc1ccc(O)c(c1)[C@H](CCN(C(C)C)C(C)C)c1ccccc1)OC(=O)CCCCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C85H152N3O18P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-47-84(92)103-72-78(106-85(93)48-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)73-105-107(94,95)104-70-69-102-68-67-101-66-65-100-64-63-99-62-61-98-60-59-97-58-57-96-56-54-87-83(91)46-40-36-39-45-82(90)86-53-51-76-49-50-81(89)80(71-76)79(77-43-37-35-38-44-77)52-55-88(74(3)4)75(5)6/h35,37-38,43-44,49-50,71,74-75,78-79,89H,7-34,36,39-42,45-48,51-70,72-73H2,1-6H3,(H,86,90)(H,87,91)(H,94,95)/t78-,79-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50453076 (CHEMBL4211510) Show SMILES Cl.CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)ccc1O)C(C)C |r| Show InChI InChI=1S/C50H85N3O13.ClH/c1-42(2)53(43(3)4)21-18-46(45-11-7-5-8-12-45)47-41-44(15-16-48(47)55)17-19-51-49(56)13-9-6-10-14-50(57)52-20-23-58-25-27-60-29-31-62-33-35-64-37-39-66-40-38-65-36-34-63-32-30-61-28-26-59-24-22-54;/h5,7-8,11-12,15-16,41-43,46,54-55H,6,9-10,13-14,17-40H2,1-4H3,(H,51,56)(H,52,57);1H/t46-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50453068 (CHEMBL4206276) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCOCCOCCOCCOCCOCCNC(=O)CCCCCC(=O)NCCc1ccc(O)c(c1)[C@H](CCN(C(C)C)C(C)C)c1ccccc1)OC(=O)CCCCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C81H144N3O16P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-47-80(88)97-68-74(100-81(89)48-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)69-99-101(90,91)98-66-65-96-64-63-95-62-61-94-60-59-93-58-57-92-56-54-83-79(87)46-40-36-39-45-78(86)82-53-51-72-49-50-77(85)76(67-72)75(73-43-37-35-38-44-73)52-55-84(70(3)4)71(5)6/h35,37-38,43-44,49-50,67,70-71,74-75,85H,7-34,36,39-42,45-48,51-66,68-69H2,1-6H3,(H,82,86)(H,83,87)(H,90,91)/t74-,75-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50453070 (CHEMBL4208614) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCOCCOCCOCCNC(=O)CCCCCC(=O)NCCc1ccc(O)c(c1)[C@H](CCN(C(C)C)C(C)C)c1ccccc1)OC(=O)CCCCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C77H136N3O14P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-47-76(84)91-64-70(94-77(85)48-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)65-93-95(86,87)92-62-61-90-60-59-89-58-57-88-56-54-79-75(83)46-40-36-39-45-74(82)78-53-51-68-49-50-73(81)72(63-68)71(69-43-37-35-38-44-69)52-55-80(66(3)4)67(5)6/h35,37-38,43-44,49-50,63,66-67,70-71,81H,7-34,36,39-42,45-48,51-62,64-65H2,1-6H3,(H,78,82)(H,79,83)(H,86,87)/t70-,71-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50453072 (CHEMBL4207504) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCOCCNC(=O)CCCCCC(=O)NCCc1ccc(O)c(c1)[C@H](CCN(C(C)C)C(C)C)c1ccccc1)OC(=O)CCCCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C73H128N3O12P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-47-72(80)85-60-66(88-73(81)48-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)61-87-89(82,83)86-58-57-84-56-54-75-71(79)46-40-36-39-45-70(78)74-53-51-64-49-50-69(77)68(59-64)67(65-43-37-35-38-44-65)52-55-76(62(3)4)63(5)6/h35,37-38,43-44,49-50,59,62-63,66-67,77H,7-34,36,39-42,45-48,51-58,60-61H2,1-6H3,(H,74,78)(H,75,79)(H,82,83)/t66-,67-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair