Compile Data Set for Download or QSAR

Found 215 hits with Last Name = 'ma' and Initial = 'yc'   

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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50226153 (CHEMBL545092) Show SMILES Br.Oc1ccc2C(CCc2c1O)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2.BrH/c15-10-4-3-7-8(11(10)16)1-2-9(7)12-13-5-6-14-12;/h3-4,9,15-16H,1-2,5-6H2,(H,13,14);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50226155 (CHEMBL543684) Show SMILES Br.Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2.BrH/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13;/h4-5,10,16-17H,1-3,6-7H2,(H,14,15);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50226156 (CHEMBL544627) Show SMILES Br.Oc1ccc2C(Cc2c1O)C1=NCCN1 |t:12| Show InChI InChI=1S/C11H12N2O2.BrH/c14-9-2-1-6-7(10(9)15)5-8(6)11-12-3-4-13-11;/h1-2,8,14-15H,3-5H2,(H,12,13);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260415 (4-(2-Chloro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-t...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C16H21ClN2O3S/c1-18-8-2-3-13(11-18)16-12-19(9-10-22-16)23(20,21)15-6-4-14(17)5-7-15/h3-7,16H,2,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50262216 (CHEMBL467376 | N-(4-chlorophenyl)-2-(1,2,5,6-tetra...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C17H22ClN3OS/c1-20-8-2-3-13(11-20)16-12-21(9-10-22-16)17(23)19-15-6-4-14(18)5-7-15/h3-7,16H,2,8-12H2,1H3,(H,19,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 7095-101 (2008) Article DOI: 10.1016/j.bmc.2008.06.053 BindingDB Entry DOI: 10.7270/Q2WM1D7C
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226153 (CHEMBL545092) Show SMILES Br.Oc1ccc2C(CCc2c1O)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2.BrH/c15-10-4-3-7-8(11(10)16)1-2-9(7)12-13-5-6-14-12;/h3-4,9,15-16H,1-2,5-6H2,(H,13,14);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226155 (CHEMBL543684) Show SMILES Br.Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2.BrH/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13;/h4-5,10,16-17H,1-3,6-7H2,(H,14,15);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316215 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)-morph...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C18H24N2O2/c1-14-5-7-15(8-6-14)18(21)20-10-11-22-17(13-20)16-4-3-9-19(2)12-16/h4-8,17H,3,9-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226156 (CHEMBL544627) Show SMILES Br.Oc1ccc2C(Cc2c1O)C1=NCCN1 |t:12| Show InChI InChI=1S/C11H12N2O2.BrH/c14-9-2-1-6-7(10(9)15)5-8(6)11-12-3-4-13-11;/h1-2,8,14-15H,3-5H2,(H,12,13);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316216 ((4-Chlorophenyl)(2-(1,2,5,6-tetrahydro-1-methylpyr...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C17H21ClN2O2/c1-19-8-2-3-14(11-19)16-12-20(9-10-22-16)17(21)13-4-6-15(18)7-5-13/h3-7,16H,2,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50226154 (CHEMBL554004) Show SMILES Br.Oc1ccc2C(CCCCc2c1O)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H18N2O2.BrH/c17-12-6-5-9-10(13(12)18)3-1-2-4-11(9)14-15-7-8-16-14;/h5-6,11,17-18H,1-4,7-8H2,(H,15,16);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260414 (4-(4-tert-Butyl-benzenesulfonyl)-2-(1-methyl-1,2,5...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:4| Show InChI InChI=1S/C20H30N2O3S/c1-20(2,3)17-7-9-18(10-8-17)26(23,24)22-12-13-25-19(15-22)16-6-5-11-21(4)14-16/h6-10,19H,5,11-15H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50262161 (2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-(4-me...) Show SMILES COc1ccc(NC(=S)N2CCOC(C2)C2=CCCN(C)C2)cc1 |t:16| Show InChI InChI=1S/C18H25N3O2S/c1-20-9-3-4-14(12-20)17-13-21(10-11-23-17)18(24)19-15-5-7-16(22-2)8-6-15/h4-8,17H,3,9-13H2,1-2H3,(H,19,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 7095-101 (2008) Article DOI: 10.1016/j.bmc.2008.06.053 BindingDB Entry DOI: 10.7270/Q2WM1D7C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50262218 (CHEMBL467377 | N-(4-fluorophenyl)-2-(1,2,5,6-tetra...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(F)cc1 |c:4| Show InChI InChI=1S/C17H22FN3OS/c1-20-8-2-3-13(11-20)16-12-21(9-10-22-16)17(23)19-15-6-4-14(18)5-7-15/h3-7,16H,2,8-12H2,1H3,(H,19,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 7095-101 (2008) Article DOI: 10.1016/j.bmc.2008.06.053 BindingDB Entry DOI: 10.7270/Q2WM1D7C
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226154 (CHEMBL554004) Show SMILES Br.Oc1ccc2C(CCCCc2c1O)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H18N2O2.BrH/c17-12-6-5-9-10(13(12)18)3-1-2-4-11(9)14-15-7-8-16-14;/h5-6,11,17-18H,1-4,7-8H2,(H,15,16);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260413 (4-(4-Methyl-benzenesulfonyl)-2-(1-methyl-1,2,5,6-t...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C17H24N2O3S/c1-14-5-7-16(8-6-14)23(20,21)19-10-11-22-17(13-19)15-4-3-9-18(2)12-15/h4-8,17H,3,9-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50262217 (CHEMBL513665 | N-(2-fluorophenyl)-2-(1,2,5,6-tetra...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1F |c:4| Show InChI InChI=1S/C17H22FN3OS/c1-20-8-4-5-13(11-20)16-12-21(9-10-22-16)17(23)19-15-7-3-2-6-14(15)18/h2-3,5-7,16H,4,8-12H2,1H3,(H,19,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 7095-101 (2008) Article DOI: 10.1016/j.bmc.2008.06.053 BindingDB Entry DOI: 10.7270/Q2WM1D7C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316214 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccccc1 |c:4| Show InChI InChI=1S/C17H22N2O2/c1-18-9-5-8-15(12-18)16-13-19(10-11-21-16)17(20)14-6-3-2-4-7-14/h2-4,6-8,16H,5,9-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260418 (4-Benzenesulfonyl-2-(1-methyl-1,2,5,6-tetrahydropy...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccccc1 |c:4| Show InChI InChI=1S/C16H22N2O3S/c1-17-9-5-6-14(12-17)16-13-18(10-11-21-16)22(19,20)15-7-3-2-4-8-15/h2-4,6-8,16H,5,9-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50262219 (CHEMBL446925 | N-(2,4-dichlorophenyl)-2-(1,2,5,6-t...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(Cl)cc1Cl |c:4| Show InChI InChI=1S/C17H21Cl2N3OS/c1-21-6-2-3-12(10-21)16-11-22(7-8-23-16)17(24)20-15-5-4-13(18)9-14(15)19/h3-5,9,16H,2,6-8,10-11H2,1H3,(H,20,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 7095-101 (2008) Article DOI: 10.1016/j.bmc.2008.06.053 BindingDB Entry DOI: 10.7270/Q2WM1D7C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260417 (4-(2,5-Dichloro-benzenesulfonyl)-2-(1-methyl-1,2,5...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1cc(Cl)ccc1Cl |c:4| Show InChI InChI=1S/C16H20Cl2N2O3S/c1-19-6-2-3-12(10-19)15-11-20(7-8-23-15)24(21,22)16-9-13(17)4-5-14(16)18/h3-5,9,15H,2,6-8,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50262160 (2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-(3-me...) Show SMILES COc1cccc(NC(=S)N2CCOC(C2)C2=CCCN(C)C2)c1 |t:17| Show InChI InChI=1S/C18H25N3O2S/c1-20-8-4-5-14(12-20)17-13-21(9-10-23-17)18(24)19-15-6-3-7-16(11-15)22-2/h3,5-7,11,17H,4,8-10,12-13H2,1-2H3,(H,19,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 7095-101 (2008) Article DOI: 10.1016/j.bmc.2008.06.053 BindingDB Entry DOI: 10.7270/Q2WM1D7C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316220 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H21N3O4/c1-18-7-3-5-14(11-18)16-12-19(8-9-24-16)17(21)13-4-2-6-15(10-13)20(22)23/h2,4-6,10,16H,3,7-9,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50262220 (2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-pheny...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1 |c:4| Show InChI InChI=1S/C17H23N3OS/c1-19-9-5-6-14(12-19)16-13-20(10-11-21-16)17(22)18-15-7-3-2-4-8-15/h2-4,6-8,16H,5,9-13H2,1H3,(H,18,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 7095-101 (2008) Article DOI: 10.1016/j.bmc.2008.06.053 BindingDB Entry DOI: 10.7270/Q2WM1D7C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260420 (4-(3-Nitrobenzenesulfonyl)-2-(1-methyl-1,2,5,6-tet...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H21N3O5S/c1-17-7-3-4-13(11-17)16-12-18(8-9-24-16)25(22,23)15-6-2-5-14(10-15)19(20)21/h2,4-6,10,16H,3,7-9,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260421 (4-(4-Nitro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-te...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H21N3O5S/c1-17-8-2-3-13(11-17)16-12-18(9-10-24-16)25(22,23)15-6-4-14(5-7-15)19(20)21/h3-7,16H,2,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316221 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H21N3O4/c1-18-8-2-3-14(11-18)16-12-19(9-10-24-16)17(21)13-4-6-15(7-5-13)20(22)23/h3-7,16H,2,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50262215 (CHEMBL467375 | N-(3-chlorophenyl)-2-(1,2,5,6-tetra...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1cccc(Cl)c1 |c:4| Show InChI InChI=1S/C17H22ClN3OS/c1-20-7-3-4-13(11-20)16-12-21(8-9-22-16)17(23)19-15-6-2-5-14(18)10-15/h2,4-6,10,16H,3,7-9,11-12H2,1H3,(H,19,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 7095-101 (2008) Article DOI: 10.1016/j.bmc.2008.06.053 BindingDB Entry DOI: 10.7270/Q2WM1D7C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM46858 (1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...) Show SMILES COC(=O)C1=CCCN(C)C1 |t:4| Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM46858 (1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...) Show SMILES COC(=O)C1=CCCN(C)C1 |t:4| Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260419 (4-(2-Nitrobenzenesulfonyl)-2-(1-methyl-1,2,5,6-tet...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccccc1[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H21N3O5S/c1-17-8-4-5-13(11-17)15-12-18(9-10-24-15)25(22,23)16-7-3-2-6-14(16)19(20)21/h2-3,5-7,15H,4,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50262159 (2-(1,2,5,6-tetrahydro-1-methylpyridin-3yl)-N-(2-me...) Show SMILES COc1ccccc1NC(=S)N1CCOC(C1)C1=CCCN(C)C1 |t:19| Show InChI InChI=1S/C18H25N3O2S/c1-20-9-5-6-14(12-20)17-13-21(10-11-23-17)18(24)19-15-7-3-4-8-16(15)22-2/h3-4,6-8,17H,5,9-13H2,1-2H3,(H,19,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 7095-101 (2008) Article DOI: 10.1016/j.bmc.2008.06.053 BindingDB Entry DOI: 10.7270/Q2WM1D7C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316219 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccccc1[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H21N3O4/c1-18-8-4-5-13(11-18)16-12-19(9-10-24-16)17(21)14-6-2-3-7-15(14)20(22)23/h2-3,5-7,16H,4,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50262162 (CHEMBL469250 | N-(2-chlorophenyl)-2-(1,2,5,6-tetra...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1Cl |c:4| Show InChI InChI=1S/C17H22ClN3OS/c1-20-8-4-5-13(11-20)16-12-21(9-10-22-16)17(23)19-15-7-3-2-6-14(15)18/h2-3,5-7,16H,4,8-12H2,1H3,(H,19,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 7095-101 (2008) Article DOI: 10.1016/j.bmc.2008.06.053 BindingDB Entry DOI: 10.7270/Q2WM1D7C
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238974 (CHEMBL4085670) Show SMILES Cc1cc(C)c2n(CCCCN3CCN(CCO)CC3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C25H33N3O2/c1-19-17-20(2)24-22(18-19)25(30)21-7-3-4-8-23(21)28(24)10-6-5-9-26-11-13-27(14-12-26)15-16-29/h3-4,7-8,17-18,29H,5-6,9-16H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after ...				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50278034 (CHEMBL4169791) Show SMILES CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c2[nH]c2ccccc2c3=O)nc1-c1ccc(OC)cc1 Show InChI InChI=1S/C29H25N5O5/c1-4-39-28(37)23-16(2)30-29(32-24(23)17-12-14-18(38-3)15-13-17)34-33-27(36)21-10-7-9-20-25(21)31-22-11-6-5-8-19(22)26(20)35/h5-15H,4H2,1-3H3,(H,31,35)(H,33,36)(H,30,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of PH domain lacking AKT1 (unknown origin) using Tamara-labeled GRPRTSSFAEG peptide as substrate after 90 mins by fluorescence polarizatio...				Eur J Med Chem 139: 961-981 (2017) Article DOI: 10.1016/j.ejmech.2017.08.023 BindingDB Entry DOI: 10.7270/Q2668GQS
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238973 (CHEMBL4064097) Show SMILES Cc1cc(C)c2n(CCCCN(CCO)CCO)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C23H30N2O3/c1-17-15-18(2)22-20(16-17)23(28)19-7-3-4-8-21(19)25(22)10-6-5-9-24(11-13-26)12-14-27/h3-4,7-8,15-16,26-27H,5-6,9-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50226153 (CHEMBL545092) Show SMILES Br.Oc1ccc2C(CCc2c1O)C1=NCCN1 |t:13| Show InChI InChI=1S/C12H14N2O2.BrH/c15-10-4-3-7-8(11(10)16)1-2-9(7)12-13-5-6-14-12;/h3-4,9,15-16H,1-2,5-6H2,(H,13,14);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]rauwolscine binding to alpha-2-adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238970 (CHEMBL4094336) Show SMILES Cc1cc(C)c2n(CCCCN3CCOCC3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C23H28N2O2/c1-17-15-18(2)22-20(16-17)23(26)19-7-3-4-8-21(19)25(22)10-6-5-9-24-11-13-27-14-12-24/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after ...				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238972 (CHEMBL4077817) Show SMILES CCN(CC)CCCCn1c2ccccc2c(=O)c2cc(C)cc(C)c12 Show InChI InChI=1S/C23H30N2O/c1-5-24(6-2)13-9-10-14-25-21-12-8-7-11-19(21)23(26)20-16-17(3)15-18(4)22(20)25/h7-8,11-12,15-16H,5-6,9-10,13-14H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description In vitro inhibitory activity against man (human) plasma renin				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50278056 (CHEMBL4163627) Show SMILES CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c2[nH]c2ccccc2c3=O)nc1-c1ccccc1 Show InChI InChI=1S/C28H23N5O4/c1-3-37-27(36)22-16(2)29-28(31-23(22)17-10-5-4-6-11-17)33-32-26(35)20-14-9-13-19-24(20)30-21-15-8-7-12-18(21)25(19)34/h4-15H,3H2,1-2H3,(H,30,34)(H,32,35)(H,29,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Antagonistic affinity against Alpha-1A adrenergic receptor was determined in isolated prostatic vas deferens tissue from rat				Eur J Med Chem 139: 961-981 (2017) Article DOI: 10.1016/j.ejmech.2017.08.023 BindingDB Entry DOI: 10.7270/Q2668GQS
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238971 (CHEMBL4066830) Show SMILES Cc1cc(C)c2n(CCCCN3CCCCC3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C24H30N2O/c1-18-16-19(2)23-21(17-18)24(27)20-10-4-5-11-22(20)26(23)15-9-8-14-25-12-6-3-7-13-25/h4-5,10-11,16-17H,3,6-9,12-15H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after ...				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50226155 (CHEMBL543684) Show SMILES Br.Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2.BrH/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13;/h4-5,10,16-17H,1-3,6-7H2,(H,14,15);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of [3H]rauwolscine binding to alpha-2-adrenergic receptor from rat cortex				J Med Chem 29: 463-7 (1986) BindingDB Entry DOI: 10.7270/Q26D5W7D
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238979 (CHEMBL4086583) Show SMILES Cc1cc(C)c2n(CCCN3CCN(CCO)CC3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C24H31N3O2/c1-18-16-19(2)23-21(17-18)24(29)20-6-3-4-7-22(20)27(23)9-5-8-25-10-12-26(13-11-25)14-15-28/h3-4,6-7,16-17,28H,5,8-15H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50278048 (CHEMBL4160193) Show SMILES CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c2[nH]c2ccccc2c3=O)nc1-c1ccccc1F Show InChI InChI=1S/C28H22FN5O4/c1-3-38-27(37)22-15(2)30-28(32-24(22)16-9-4-6-13-20(16)29)34-33-26(36)19-12-8-11-18-23(19)31-21-14-7-5-10-17(21)25(18)35/h4-14H,3H2,1-2H3,(H,31,35)(H,33,36)(H,30,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Antagonistic affinity against Alpha-1B adrenergic receptor was determined in isolated spleen tissue from rat				Eur J Med Chem 139: 961-981 (2017) Article DOI: 10.1016/j.ejmech.2017.08.023 BindingDB Entry DOI: 10.7270/Q2668GQS
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238980 (CHEMBL4102080) Show SMILES CN1CCN(CCCCn2c3ccccc3c(=O)c3cc(C)cc(C)c23)CC1 Show InChI InChI=1S/C24H31N3O/c1-18-16-19(2)23-21(17-18)24(28)20-8-4-5-9-22(20)27(23)11-7-6-10-26-14-12-25(3)13-15-26/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50316369 (3-(2-N-Piperidyl-acetamino)-7,8-dehydrorutaecarpin...) Show SMILES O=C(CN1CCCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 Show InChI InChI=1S/C25H23N5O2/c31-22(15-29-11-4-1-5-12-29)26-16-8-9-21-19(14-16)25(32)30-13-10-18-17-6-2-3-7-20(17)27-23(18)24(30)28-21/h2-3,6-10,13-14,27H,1,4-5,11-12,15H2,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.1	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description inhibition of electic eel AChE by Ellman's method				Eur J Med Chem 45: 1415-23 (2010) Article DOI: 10.1016/j.ejmech.2009.12.044 BindingDB Entry DOI: 10.7270/Q2CN742S
					More data for this Ligand-Target Pair

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