Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'semus' and Initial = 'sf'   

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/M2/M3/M4/M5 (RAT)	BDBM50005363 ((3R,4R)3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1-aza-bi...) Show SMILES Cc1noc(n1)C1CN2CCC1C2 |TLB:4:6:12:10.9| Show InChI InChI=1S/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50471859 (CHEMBL334387) Show SMILES CC[C@@H]1O[C@]2(CN3CCC2C3)CC1=O |TLB:11:4:10:8.7,THB:3:4:10:8.7| Show InChI InChI=1S/C11H17NO2/c1-2-10-9(13)5-11(14-10)7-12-4-3-8(11)6-12/h8,10H,2-7H2,1H3/t8?,10-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50471858 (CHEMBL335503) Show SMILES C[C@@H]1O[C@]2(CN3CCC2C3)CC1=O |TLB:10:3:9:7.6,THB:2:3:9:7.6| Show InChI InChI=1S/C10H15NO2/c1-7-9(12)4-10(13-7)6-11-3-2-8(10)5-11/h7-8H,2-6H2,1H3/t7-,8?,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50471854 (CHEMBL337509) Show SMILES CCC[C@@H]1O[C@]2(CN3CCC2C3)CC1=O |TLB:12:5:11:9.8,THB:4:5:11:9.8| Show InChI InChI=1S/C12H19NO2/c1-2-3-11-10(14)6-12(15-11)8-13-5-4-9(12)7-13/h9,11H,2-8H2,1H3/t9?,11-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50471855 (CHEMBL134860) Show SMILES CCC[C@H]1O[C@]2(CN3CCC2C3)CC1=O |TLB:12:5:11:9.8,THB:4:5:11:9.8| Show InChI InChI=1S/C12H19NO2/c1-2-3-11-10(14)6-12(15-11)8-13-5-4-9(12)7-13/h9,11H,2-8H2,1H3/t9?,11-,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50471860 (CHEMBL134937) Show SMILES CC[C@H]1O[C@]2(CN3CCC2C3)CC1=O |TLB:11:4:10:8.7,THB:3:4:10:8.7| Show InChI InChI=1S/C11H17NO2/c1-2-10-9(13)5-11(14-10)7-12-4-3-8(11)6-12/h8,10H,2-7H2,1H3/t8?,10-,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50471857 (CHEMBL335496) Show SMILES CN1O[C@]2(CN3CCC2C3)CC1=O |TLB:10:3:9:7.6,THB:2:3:9:7.6| Show InChI InChI=1S/C9H14N2O2/c1-10-8(12)4-9(13-10)6-11-3-2-7(9)5-11/h7H,2-6H2,1H3/t7?,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50034651 (2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...) Show SMILES CC1OC2(CC1=O)CCN(C)CC2 Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50004656 ((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...) Show SMILES C[N+](C)(C)CCOC(N)=O Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50067479 (2'-methyl-(2'S)-spiro[4-azabicyclo[2.2.1]heptane-2...) Show SMILES C[C@H]1OCC2(CN3CCC2C3)O1 |TLB:3:4:10:8.7,THB:11:4:10:8.7| Show InChI InChI=1S/C9H15NO2/c1-7-11-6-9(12-7)5-10-3-2-8(9)4-10/h7-8H,2-6H2,1H3/t7-,8?,9?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50471856 (CHEMBL448736) Show SMILES CC1O[C@@]2(CC1=O)CN1CCC2CC1 |wU:3.2,wD:3.3,TLB:2:3:10.9:12.13,THB:4:3:10.9:12.13,(12.07,-3.46,;10.98,-4.57,;9.44,-4.31,;8.74,-5.69,;9.82,-6.79,;11.2,-6.09,;12.58,-6.81,;8.23,-6.76,;6.96,-6.13,;6.96,-4.58,;7.29,-3.34,;7.37,-4.89,;6.27,-5.67,;5.64,-6.81,)| Show InChI InChI=1S/C11H17NO2/c1-8-10(13)6-11(14-8)7-12-4-2-9(11)3-5-12/h8-9H,2-7H2,1H3/t8?,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus USA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.				J Med Chem 41: 4181-5 (1998) Article DOI: 10.1021/jm980192x BindingDB Entry DOI: 10.7270/Q2PV6P3B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50034651 (2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...) Show SMILES CC1OC2(CC1=O)CCN(C)CC2 Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288143 (4-Cyclohexyl-benzoic acid [2,8-dimethyl-1-oxa-8-az...) Show SMILES CC1OC2(CC1=NNC(=O)c1ccc(cc1)C1CCCCC1)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C23H33N3O2/c1-17-21(16-23(28-17)12-14-26(2)15-13-23)24-25-22(27)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,17-18H,3-7,12-16H2,1-2H3,(H,25,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288159 (5-Cyclohexyl-pentanoic acid [2,8-dimethyl-1-oxa-8-...) Show SMILES CC1OC2(CC1=NNC(=O)CCCCC1CCCCC1)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C21H37N3O2/c1-17-19(16-21(26-17)12-14-24(2)15-13-21)22-23-20(25)11-7-6-10-18-8-4-3-5-9-18/h17-18H,3-16H2,1-2H3,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288156 (CHEMBL81954 | Octanoic acid N'-[2,8-dimethyl-1-oxa...) Show SMILES CCCCCCCC(=O)N(C)N=C1CC2(CCN(C)CC2)OC1C |w:11.10| Show InChI InChI=1S/C19H35N3O2/c1-5-6-7-8-9-10-18(23)22(4)20-17-15-19(24-16(17)2)11-13-21(3)14-12-19/h16H,5-15H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288153 (CHEMBL420596 | Nonanoic acid [2,8-dimethyl-1-oxa-8...) Show SMILES CCCCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:11.10| Show InChI InChI=1S/C19H35N3O2/c1-4-5-6-7-8-9-10-18(23)21-20-17-15-19(24-16(17)2)11-13-22(3)14-12-19/h16H,4-15H2,1-3H3,(H,21,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288167 (CHEMBL84985 | Octanoic acid [2,8-dimethyl-1-oxa-8-...) Show SMILES CCCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:10.9| Show InChI InChI=1S/C18H33N3O2/c1-4-5-6-7-8-9-17(22)20-19-16-14-18(23-15(16)2)10-12-21(3)13-11-18/h15H,4-14H2,1-3H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288163 (CHEMBL84109 | Naphthalen-2-yl-acetic acid [2,8-dim...) Show SMILES CC1OC2(CC1=NNC(=O)Cc1ccc3ccccc3c1)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C22H27N3O2/c1-16-20(15-22(27-16)9-11-25(2)12-10-22)23-24-21(26)14-17-7-8-18-5-3-4-6-19(18)13-17/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288144 (4-Cyclohexyl-butyric acid [2,8-dimethyl-1-oxa-8-az...) Show SMILES CC1OC2(CC1=NNC(=O)CCCC1CCCCC1)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C20H35N3O2/c1-16-18(15-20(25-16)11-13-23(2)14-12-20)21-22-19(24)10-6-9-17-7-4-3-5-8-17/h16-17H,3-15H2,1-2H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288147 (CHEMBL314796 | Decanoic acid [2,8-dimethyl-1-oxa-8...) Show SMILES CCCCCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:12.11| Show InChI InChI=1S/C20H37N3O2/c1-4-5-6-7-8-9-10-11-19(24)22-21-18-16-20(25-17(18)2)12-14-23(3)15-13-20/h17H,4-16H2,1-3H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288158 (2,2-Dimethyl-propionic acid [2,8-dimethyl-1-oxa-8-...) Show SMILES CC1OC2(CC1=NNC(=O)C(C)(C)C)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C15H27N3O2/c1-11-12(16-17-13(19)14(2,3)4)10-15(20-11)6-8-18(5)9-7-15/h11H,6-10H2,1-5H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288161 (Butyric acid N'-[2,8-dimethyl-1-oxa-8-aza-spiro[4....) Show SMILES CCCC(=O)N(C)N=C1CC2(CCN(C)CC2)OC1C |w:7.6| Show InChI InChI=1S/C15H27N3O2/c1-5-6-14(19)18(4)16-13-11-15(20-12(13)2)7-9-17(3)10-8-15/h12H,5-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288152 (CHEMBL418933 | Hexanoic acid [2,8-dimethyl-1-oxa-8...) Show SMILES CCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:8.7| Show InChI InChI=1S/C16H29N3O2/c1-4-5-6-7-15(20)18-17-14-12-16(21-13(14)2)8-10-19(3)11-9-16/h13H,4-12H2,1-3H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288157 (CHEMBL314421 | Heptanoic acid [2,8-dimethyl-1-oxa-...) Show SMILES CCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:9.8| Show InChI InChI=1S/C17H31N3O2/c1-4-5-6-7-8-16(21)19-18-15-13-17(22-14(15)2)9-11-20(3)12-10-17/h14H,4-13H2,1-3H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288169 (CHEMBL83410 | N'-[2,8-Dimethyl-1-oxa-8-aza-spiro[4...) Show SMILES COC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:5.4| Show InChI InChI=1S/C12H21N3O3/c1-9-10(13-14-11(16)17-3)8-12(18-9)4-6-15(2)7-5-12/h9H,4-8H2,1-3H3,(H,14,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288154 (CHEMBL85729 | Isobutyric acid [2,8-dimethyl-1-oxa-...) Show SMILES CC(C)C(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:6.5| Show InChI InChI=1S/C14H25N3O2/c1-10(2)13(18)16-15-12-9-14(19-11(12)3)5-7-17(4)8-6-14/h10-11H,5-9H2,1-4H3,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288150 (CHEMBL85953 | Cyclohexyl-acetic acid [2,8-dimethyl...) Show SMILES CC1OC2(CC1=NNC(=O)CC1CCCCC1)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C18H31N3O2/c1-14-16(13-18(23-14)8-10-21(2)11-9-18)19-20-17(22)12-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288148 (CHEMBL85999 | Phenyl-acetic acid [2,8-dimethyl-1-o...) Show SMILES CC1OC2(CC1=NNC(=O)Cc1ccccc1)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C18H25N3O2/c1-14-16(13-18(23-14)8-10-21(2)11-9-18)19-20-17(22)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288155 (4-Phenyl-butyric acid [2,8-dimethyl-1-oxa-8-aza-sp...) Show SMILES CC1OC2(CC1=NNC(=O)CCCc1ccccc1)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C20H29N3O2/c1-16-18(15-20(25-16)11-13-23(2)14-12-20)21-22-19(24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288168 (CHEMBL84222 | Cyclohexanecarboxylic acid [2,8-dime...) Show SMILES CC1OC2(CC1=NNC(=O)C1CCCCC1)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C17H29N3O2/c1-13-15(12-17(22-13)8-10-20(2)11-9-17)18-19-16(21)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288165 (CHEMBL432186 | Pentanoic acid [2,8-dimethyl-1-oxa-...) Show SMILES CCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:7.6| Show InChI InChI=1S/C15H27N3O2/c1-4-5-6-14(19)17-16-13-11-15(20-12(13)2)7-9-18(3)10-8-15/h12H,4-11H2,1-3H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288151 (Acetic acid N'-[2,8-dimethyl-1-oxa-8-aza-spiro[4.5...) Show SMILES CC1OC2(CC1=NN(C)C(C)=O)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C13H23N3O2/c1-10-12(14-16(4)11(2)17)9-13(18-10)5-7-15(3)8-6-13/h10H,5-9H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288164 (Butyric acid [2,8-dimethyl-1-oxa-8-aza-spiro[4.5]d...) Show SMILES CCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:6.5| Show InChI InChI=1S/C14H25N3O2/c1-4-5-13(18)16-15-12-10-14(19-11(12)2)6-8-17(3)9-7-14/h11H,4-10H2,1-3H3,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288146 (CHEMBL84825 | Propionic acid [2,8-dimethyl-1-oxa-8...) Show SMILES CCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:5.4| Show InChI InChI=1S/C13H23N3O2/c1-4-12(17)15-14-11-9-13(18-10(11)2)5-7-16(3)8-6-13/h10H,4-9H2,1-3H3,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288149 (Benzoic acid [2,8-dimethyl-1-oxa-8-aza-spiro[4.5]d...) Show SMILES CC1OC2(CC1=NNC(=O)c1ccccc1)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C17H23N3O2/c1-13-15(12-17(22-13)8-10-20(2)11-9-17)18-19-16(21)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288145 (3-Methyl-butyric acid [2,8-dimethyl-1-oxa-8-aza-sp...) Show SMILES CC(C)CC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:7.6| Show InChI InChI=1S/C15H27N3O2/c1-11(2)9-14(19)17-16-13-10-15(20-12(13)3)5-7-18(4)8-6-15/h11-12H,5-10H2,1-4H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288166 (Acetic acid [2,8-dimethyl-1-oxa-8-aza-spiro[4.5]de...) Show SMILES CC1OC2(CC1=NNC(C)=O)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C12H21N3O2/c1-9-11(14-13-10(2)16)8-12(17-9)4-6-15(3)7-5-12/h9H,4-8H2,1-3H3,(H,13,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288162 ((3E)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one...) Show SMILES CC1OC2(CC1=NNC(N)=O)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C11H20N4O2/c1-8-9(13-14-10(12)16)7-11(17-8)3-5-15(2)6-4-11/h8H,3-7H2,1-2H3,(H3,12,14,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50288160 (Acetic acid [2-methyl-1-oxa-8-aza-spiro[4.5]dec-(3...) Show SMILES CC1OC2(CC1=NNC(C)=O)CCNCC2 |w:6.7| Show InChI InChI=1S/C11H19N3O2/c1-8-10(14-13-9(2)15)7-11(16-8)3-5-12-6-4-11/h8,12H,3-7H2,1-2H3,(H,13,15)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes				Bioorg Med Chem Lett 6: 2525-2530 (1996) Article DOI: 10.1016/0960-894X(96)00471-4 BindingDB Entry DOI: 10.7270/Q2NK3F1B
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14044 (Aminofurazanyl-azabenzimidazole 6k | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN(C)C)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C26H26N8O3/c1-4-34-21-13-22(28-14-20(21)30-25(34)23-24(27)32-37-31-23)36-19-7-5-6-18(12-19)29-26(35)17-10-8-16(9-11-17)15-33(2)3/h5-14H,4,15H2,1-3H3,(H2,27,32)(H,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14042 (Aminofurazanyl-azabenzimidazole 6i | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N4CCOCC4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C27H26N8O4/c1-2-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-39-32-24)38-20-5-3-4-18(14-20)30-27(36)17-6-8-19(9-7-17)34-10-12-37-13-11-34/h3-9,14-16H,2,10-13H2,1H3,(H2,28,33)(H,30,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14043 (Aminofurazanyl-azabenzimidazole 6j | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C24H22N8O3/c1-2-32-19-11-20(27-13-18(19)29-23(32)21-22(26)31-35-30-21)34-17-5-3-4-16(10-17)28-24(33)15-8-6-14(12-25)7-9-15/h3-11,13H,2,12,25H2,1H3,(H2,26,31)(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14045 (Aminofurazanyl-azabenzimidazole 6l | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C28H28N8O4/c1-2-36-23-15-24(30-16-22(23)32-27(36)25-26(29)34-40-33-25)39-21-5-3-4-20(14-21)31-28(37)19-8-6-18(7-9-19)17-35-10-12-38-13-11-35/h3-9,14-16H,2,10-13,17H2,1H3,(H2,29,34)(H,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14046 (Aminofurazanyl-azabenzimidazole 6m | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN(C)C)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C27H28N8O4/c1-4-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-39-32-24)38-20-7-5-6-18(14-20)30-27(36)17-8-10-19(11-9-17)37-13-12-34(2)3/h5-11,14-16H,4,12-13H2,1-3H3,(H2,28,33)(H,30,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14035 (Aminofurazanyl-azabenzimidazole 6c | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(C)=O)c3)cc12)-c1nonc1N Show InChI InChI=1S/C18H17N7O3/c1-3-25-14-8-15(27-12-6-4-5-11(7-12)21-10(2)26)20-9-13(14)22-18(25)16-17(19)24-28-23-16/h4-9H,3H2,1-2H3,(H2,19,24)(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14047 (Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25494 (4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-...) Show SMILES COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9| Show InChI InChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-4-6-20-15(9-17)12-29-33-20)23(18-5-3-16(26)11-19(18)27)32-24(30-13)14-7-8-28-21(10-14)35-2/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14041 (Aminofurazanyl-azabenzimidazole 6h | N-(3-{[2-(4-a...) Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)-c1nonc1N Show InChI InChI=1S/C25H24N8O3/c1-4-33-20-13-21(27-14-19(20)29-24(33)22-23(26)31-36-30-22)35-18-7-5-6-16(12-18)28-25(34)15-8-10-17(11-9-15)32(2)3/h5-14H,4H2,1-3H3,(H2,26,31)(H,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...				J Med Chem 50: 2-5 (2007) Article DOI: 10.1021/jm060873p BindingDB Entry DOI: 10.7270/Q2F18WZB
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25495 (4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-...) Show SMILES COc1ccc(cn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9| Show InChI InChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-5-7-20-15(9-17)12-29-33-20)23(18-6-4-16(26)10-19(18)27)32-24(30-13)14-3-8-21(35-2)28-11-14/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM25493 (4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-y...) Show SMILES CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1| Show InChI InChI=1S/C24H17Cl2FN6O/c1-12-21(24(34)31-16-3-5-19-14(8-16)11-29-33-19)22(17-4-2-15(25)10-18(17)27)32-23(30-12)13-6-7-28-20(26)9-13/h2-11,22H,1H3,(H,29,33)(H,30,32)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...				J Med Chem 51: 6631-4 (2008) Article DOI: 10.1021/jm8005096 BindingDB Entry DOI: 10.7270/Q2F47MFZ
					More data for this Ligand-Target Pair

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