Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50048897   

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)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50230645 (CHEMBL434772) Show SMILES Cc1cnn(n1)C1CN2CCC1CC2 |(18.13,-12.97,;17.74,-14.43,;18.81,-15.82,;17.59,-17.15,;16.19,-16.54,;16.36,-14.97,;14.84,-17.3,;14.84,-18.84,;13.5,-19.51,;12.17,-18.84,;12.17,-17.3,;13.5,-16.52,;13.89,-18,;12.87,-18.35,)| Show InChI InChI=1S/C10H16N4/c1-8-6-11-14(12-8)10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50229526 (CHEMBL279356) Show SMILES Cc1noc(n1)C1CN2CCC1CC2 |(5.41,-5.22,;4.1,-6,;4.34,-7.52,;2.94,-8.22,;1.87,-7.15,;2.56,-5.75,;.54,-7.93,;.54,-9.47,;-.8,-10.25,;-2.11,-9.47,;-2.11,-7.93,;-.8,-7.16,;-1.21,-8.65,;-.19,-8.97,)| Show InChI InChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50229697 (CHEMBL23721) Show SMILES Cn1ncc(n1)C1CN2CCC1CC2 |(18.33,-12.98,;17.57,-14.14,;18.65,-15.55,;17.46,-16.88,;16.04,-16.24,;16.2,-14.7,;14.7,-17.02,;14.7,-18.55,;13.34,-19.21,;12.03,-18.55,;12.03,-17.02,;13.35,-16.24,;13.75,-17.74,;12.73,-18.07,)| Show InChI InChI=1S/C10H16N4/c1-13-11-6-10(12-13)9-7-14-4-2-8(9)3-5-14/h6,8-9H,2-5,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50229618 (CHEMBL23335) Show SMILES Cc1ncn(n1)C1CN2CCC1CC2 |(17.8,-12.62,;17.41,-14.06,;18.48,-15.44,;17.28,-16.78,;15.88,-16.13,;16.04,-14.6,;14.52,-16.91,;14.52,-18.45,;13.19,-19.11,;11.88,-18.45,;11.88,-16.91,;13.19,-16.13,;13.59,-17.62,;12.57,-17.96,)| Show InChI InChI=1S/C10H16N4/c1-8-11-7-14(12-8)10-6-13-4-2-9(10)3-5-13/h7,9-10H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50229688 (CHEMBL276975) Show SMILES Cn1nnc(n1)C1CN2CCC1CC2 |(18.04,-12.91,;17.63,-14.36,;18.7,-15.74,;17.5,-17.06,;16.11,-16.45,;16.28,-14.89,;14.77,-17.21,;14.77,-18.75,;13.43,-19.41,;12.11,-18.75,;12.11,-17.21,;13.41,-16.43,;13.82,-17.91,;12.8,-18.26,)| Show InChI InChI=1S/C9H15N5/c1-13-11-9(10-12-13)8-6-14-4-2-7(8)3-5-14/h7-8H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50229667 (CHEMBL23563) Show SMILES C1CN2CCC1C(C2)n1ncnn1 |(12.18,-16.59,;12.18,-18.13,;13.51,-18.81,;12.88,-17.66,;13.9,-17.31,;13.49,-15.8,;14.85,-16.59,;14.85,-18.13,;16.2,-15.82,;16.37,-14.27,;17.73,-13.71,;18.81,-15.11,;17.61,-16.47,)| Show InChI InChI=1S/C8H13N5/c1-3-12-4-2-7(1)8(5-12)13-10-6-9-11-13/h6-8H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50230641 (CHEMBL23222) Show SMILES Cc1cn(nn1)C1CN2CCC1CC2 |(18.18,-13.01,;17.77,-14.47,;16.4,-15.01,;16.23,-16.58,;17.64,-17.2,;18.85,-15.87,;14.88,-17.34,;14.88,-18.9,;13.54,-19.56,;12.21,-18.9,;12.21,-17.34,;13.52,-16.56,;13.93,-18.05,;12.91,-18.4,)| Show InChI InChI=1S/C10H16N4/c1-8-6-14(12-11-8)10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50230644 (CHEMBL429230) Show SMILES Cn1nncc1C1CN2CCC1CC2 |(15.08,-13.46,;16.28,-14.36,;17.63,-13.81,;18.7,-15.2,;17.5,-16.53,;16.11,-15.9,;14.77,-16.65,;14.77,-18.19,;13.43,-18.86,;12.11,-18.19,;12.11,-16.65,;13.41,-15.89,;13.82,-17.38,;12.8,-17.71,)| Show InChI InChI=1S/C10H16N4/c1-13-10(6-11-12-13)9-7-14-4-2-8(9)3-5-14/h6,8-9H,2-5,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50230640 (CHEMBL22926) Show SMILES Cn1cnc(n1)C1CN2CCC1CC2 |(4.99,-1.2,;4.6,-2.65,;5.68,-4.04,;4.47,-5.38,;3.06,-4.76,;3.23,-3.19,;1.7,-5.52,;1.7,-7.06,;.35,-7.74,;-.97,-7.06,;-.97,-5.52,;.35,-4.74,;.76,-6.24,;-.27,-6.59,)| Show InChI InChI=1S/C10H16N4/c1-13-7-11-10(12-13)9-6-14-4-2-8(9)3-5-14/h7-9H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50230638 (CHEMBL278352) Show SMILES Cn1cc(nn1)C1CN2CCC1CC2 |(18.33,-12.98,;17.57,-14.14,;16.2,-14.7,;16.04,-16.24,;17.46,-16.88,;18.65,-15.55,;14.7,-17.02,;14.7,-18.55,;13.34,-19.21,;12.03,-18.55,;12.03,-17.02,;13.35,-16.24,;13.75,-17.74,;12.73,-18.07,)| Show InChI InChI=1S/C10H16N4/c1-13-7-10(11-12-13)9-6-14-4-2-8(9)3-5-14/h7-9H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50230637 (CHEMBL23962) Show SMILES Cn1nnnc1C1CN2CCC1CC2 |(15.06,-13.45,;16.26,-14.34,;17.61,-13.8,;18.68,-15.18,;17.48,-16.51,;16.09,-15.88,;14.75,-16.64,;14.75,-18.18,;13.42,-18.84,;12.1,-18.18,;12.1,-16.64,;13.4,-15.87,;13.81,-17.36,;12.79,-17.69,)| Show InChI InChI=1S/C9H15N5/c1-13-9(10-11-12-13)8-6-14-4-2-7(8)3-5-14/h7-8H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50230643 (CHEMBL22925) Show SMILES C1CN2CCC1C(C2)n1cnnc1 |(12.18,-16.59,;12.18,-18.13,;13.51,-18.81,;12.88,-17.66,;13.9,-17.31,;13.49,-15.82,;14.85,-16.59,;14.85,-18.13,;16.2,-15.82,;17.61,-16.47,;18.81,-15.11,;17.73,-13.71,;16.37,-14.27,)| Show InChI InChI=1S/C9H14N4/c1-3-12-4-2-8(1)9(5-12)13-6-10-11-7-13/h6-9H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates				J Med Chem 35: 1280-90 (1992) BindingDB Entry DOI: 10.7270/Q2G1632Q
					More data for this Ligand-Target Pair