Compile Data Set for Download or QSAR

Found 216 hits with Last Name = 'nason' and Initial = 'd'   

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
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50465935 (CHEMBL4277264) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at dopamine D5 receptor (unknown origin)				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465945 (CHEMBL4279267) Show SMILES Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C |(71.15,-35.83,;71.14,-34.29,;72.47,-33.52,;72.46,-31.97,;71.11,-31.22,;70.79,-29.72,;69.26,-29.56,;68.64,-30.97,;69.79,-31.99,;69.81,-33.53,;68.49,-34.3,;68.49,-35.85,;67.16,-36.62,;65.83,-35.85,;64.5,-36.63,;64.5,-38.17,;65.83,-38.93,;65.84,-40.47,;64.51,-41.24,;63.17,-40.47,;61.71,-40.95,;60.8,-39.72,;61.7,-38.47,;63.17,-38.94,;65.82,-34.31,;67.14,-33.54,;67.13,-32,)| Show InChI InChI=1S/C22H17N3O2/c1-14-3-6-20-23-10-11-25(20)21(14)17-5-4-16(13-15(17)2)27-22-18-8-12-26-19(18)7-9-24-22/h3-13H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465944 (CHEMBL4286177) Show SMILES Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1 Show InChI InChI=1S/C21H15N3O2/c1-14-2-7-19-22-11-12-24(19)20(14)15-3-5-16(6-4-15)26-21-17-9-13-25-18(17)8-10-23-21/h2-13H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465935 (CHEMBL4277264) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465935 (CHEMBL4277264) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465935 (CHEMBL4277264) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	21.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465946 (CHEMBL4294397) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 Show InChI InChI=1S/C21H15N3O2/c1-14-13-15(26-21-17-8-12-25-19(17)7-9-23-21)5-6-16(14)18-3-2-4-20-22-10-11-24(18)20/h2-13H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465943 (CHEMBL4286110) Show SMILES COc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1 Show InChI InChI=1S/C23H16N2O3/c1-26-21-7-4-16-14-24-11-8-18(16)22(21)15-2-5-17(6-3-15)28-23-19-10-13-27-20(19)9-12-25-23/h2-14H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465938 (CHEMBL4294009) Show SMILES O(c1ccc(cc1)-c1cccc2nccn12)c1nccc2occc12 Show InChI InChI=1S/C20H13N3O2/c1-2-17(23-12-11-21-19(23)3-1)14-4-6-15(7-5-14)25-20-16-9-13-24-18(16)8-10-22-20/h1-13H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465934 (CHEMBL4293757) Show SMILES Cc1cnn(c1-c1ccc(Oc2nccc3occc23)cc1C)C(C)(C)C |(32.4,-13.64,;33.56,-14.66,;35.05,-14.32,;35.84,-15.64,;34.83,-16.8,;33.41,-16.19,;32.09,-16.97,;32.1,-18.51,;30.77,-19.28,;29.43,-18.52,;28.1,-19.29,;28.11,-20.83,;29.44,-21.59,;29.45,-23.14,;28.11,-23.91,;26.78,-23.14,;25.32,-23.62,;24.41,-22.38,;25.3,-21.13,;26.78,-21.6,;29.42,-16.98,;30.75,-16.21,;30.74,-14.67,;35.16,-18.3,;36.64,-18.76,;34.03,-19.35,;35.6,-19.8,)| Show InChI InChI=1S/C22H23N3O2/c1-14-12-16(27-21-18-9-11-26-19(18)8-10-23-21)6-7-17(14)20-15(2)13-24-25(20)22(3,4)5/h6-13H,1-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	243	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465942 (CHEMBL4278861) Show SMILES Cc1nc2cnccc2n1-c1ccc(Oc2nccc3occc23)cc1C |(51.19,-1.16,;52.34,-2.18,;53.85,-1.85,;54.62,-3.18,;56.12,-3.49,;56.61,-4.94,;55.59,-6.09,;54.08,-5.78,;53.6,-4.33,;52.19,-3.72,;50.86,-4.5,;50.87,-6.05,;49.54,-6.82,;48.2,-6.05,;46.87,-6.83,;46.88,-8.37,;48.21,-9.13,;48.22,-10.67,;46.88,-11.45,;45.54,-10.68,;44.08,-11.16,;43.17,-9.92,;44.07,-8.67,;45.54,-9.14,;48.19,-4.51,;49.52,-3.74,;49.5,-2.2,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-16-7-10-26-20(16)6-9-23-21)3-4-18(13)25-14(2)24-17-12-22-8-5-19(17)25/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465936 (CHEMBL4293356) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1ccnn1C Show InChI InChI=1S/C18H15N3O2/c1-12-11-13(3-4-14(12)16-5-9-20-21(16)2)23-18-15-7-10-22-17(15)6-8-19-18/h3-11H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465947 (CHEMBL4289538) Show SMILES Cc1nc2cnccc2n1-c1ccc(Oc2nccc3occc23)cc1 Show InChI InChI=1S/C20H14N4O2/c1-13-23-17-12-21-9-6-18(17)24(13)14-2-4-15(5-3-14)26-20-16-8-11-25-19(16)7-10-22-20/h2-12H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	376	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465941 (CHEMBL4283176) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1ccnn1C(C)(C)C Show InChI InChI=1S/C21H21N3O2/c1-14-13-15(26-20-17-9-12-25-19(17)8-10-22-20)5-6-16(14)18-7-11-23-24(18)21(2,3)4/h5-13H,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	563	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465939 (CHEMBL4285528) Show SMILES CC(C)(C)n1nccc1-c1ccc(Oc2nccc3occc23)cc1 Show InChI InChI=1S/C20H19N3O2/c1-20(2,3)23-17(8-12-22-23)14-4-6-15(7-5-14)25-19-16-10-13-24-18(16)9-11-21-19/h4-13H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465940 (CHEMBL4282096) Show SMILES Cn1nccc1-c1ccc(Oc2nccc3occc23)cc1 Show InChI InChI=1S/C17H13N3O2/c1-20-15(6-10-19-20)12-2-4-13(5-3-12)22-17-14-8-11-21-16(14)7-9-18-17/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465937 (CHEMBL4287192) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1cncc2ncnn12 Show InChI InChI=1S/C19H13N5O2/c1-12-8-13(26-19-15-5-7-25-17(15)4-6-21-19)2-3-14(12)16-9-20-10-18-22-11-23-24(16)18/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50465935 (CHEMBL4277264) Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at dopamine D2 receptor (unknown origin)				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032162 (3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,7-dihydro-...) Show SMILES O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 Show InChI InChI=1S/C23H25N3O2/c27-23-13-18-12-19-20(25-28-22(19)14-21(18)24-23)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032161 (3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-7-methyl-5,7...) Show SMILES CN1C(=O)Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc12 Show InChI InChI=1S/C24H27N3O2/c1-26-22-15-23-20(13-19(22)14-24(26)28)21(25-29-23)8-7-17-9-11-27(12-10-17)16-18-5-3-2-4-6-18/h2-6,13,15,17H,7-12,14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032164 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5,6-dihydroiso...) Show SMILES O=C1CCc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 Show InChI InChI=1S/C24H27N3O2/c28-24-9-7-19-14-20-21(26-29-23(20)15-22(19)25-24)8-6-17-10-12-27(13-11-17)16-18-4-2-1-3-5-18/h1-5,14-15,17H,6-13,16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032163 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5H-isoxazolo[5...) Show SMILES O=C1Cc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc2N1 Show InChI InChI=1S/C23H25N3O2/c27-23-13-18-12-22-19(14-21(18)24-23)20(25-28-22)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50255776 (CHEMBL4075310) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)OC(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C18H14F7N3O2/c19-9-1-3-10(4-2-9)28-6-5-13(26-28)14-11-7-27(8-12(11)14)16(29)30-15(17(20,21)22)18(23,24)25/h1-6,11-12,14-15H,7-8H2/t11-,12+,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research and Development , 610 Main Street , Cambridge , Massachusetts 02139 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAGL using fluorogenic-7HCA as substrate preincubated for 30 mins followed by substrate addition measured after 60 mi...				J Med Chem 61: 3008-3026 (2018) Article DOI: 10.1021/acs.jmedchem.8b00070 BindingDB Entry DOI: 10.7270/Q2S46VD4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032165 (CHEMBL92736 | CHEMBL94217 | N-{3-[2-(1-Benzyl-pipe...) Show SMILES CC(=O)Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C23H27N3O2/c1-17(27)24-20-8-9-21-22(25-28-23(21)15-20)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50255775 (CHEMBL4079080) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)O[C@H](CO)C(F)(F)F |r| Show InChI InChI=1S/C18H17F4N3O3/c19-10-1-3-11(4-2-10)25-6-5-14(23-25)16-12-7-24(8-13(12)16)17(27)28-15(9-26)18(20,21)22/h1-6,12-13,15-16,26H,7-9H2/t12-,13+,15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research and Development , 610 Main Street , Cambridge , Massachusetts 02139 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAGL using fluorogenic-7HCA as substrate preincubated for 30 mins followed by substrate addition measured after 60 mi...				J Med Chem 61: 3008-3026 (2018) Article DOI: 10.1021/acs.jmedchem.8b00070 BindingDB Entry DOI: 10.7270/Q2S46VD4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032160 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-6H-isoxazolo[5...) Show SMILES O=C1Cc2c(N1)ccc1c(CCC3CCN(Cc4ccccc4)CC3)noc21 Show InChI InChI=1S/C23H25N3O2/c27-22-14-19-20(24-22)9-7-18-21(25-28-23(18)19)8-6-16-10-12-26(13-11-16)15-17-4-2-1-3-5-17/h1-5,7,9,16H,6,8,10-15H2,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM60622 (BDBM50300355 | US11753371, Compound JZL-184 | US91...) Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research and Development , 610 Main Street , Cambridge , Massachusetts 02139 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAGL using fluorogenic-7HCA as substrate preincubated for 30 mins followed by substrate addition measured after 60 mi...				J Med Chem 61: 3008-3026 (2018) Article DOI: 10.1021/acs.jmedchem.8b00070 BindingDB Entry DOI: 10.7270/Q2S46VD4
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50255806 (CHEMBL4097100) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)OC(CO)C(F)(F)F |r| Show InChI InChI=1S/C18H17F4N3O3/c19-10-1-3-11(4-2-10)25-6-5-14(23-25)16-12-7-24(8-13(12)16)17(27)28-15(9-26)18(20,21)22/h1-6,12-13,15-16,26H,7-9H2/t12-,13+,15?,16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research and Development , 610 Main Street , Cambridge , Massachusetts 02139 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAGL using fluorogenic-7HCA as substrate preincubated for 30 mins followed by substrate addition measured after 60 mi...				J Med Chem 61: 3008-3026 (2018) Article DOI: 10.1021/acs.jmedchem.8b00070 BindingDB Entry DOI: 10.7270/Q2S46VD4
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Butyrylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50091800 (2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...) Show SMILES Cc1ccnc(N)c1 Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human inducible nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50255777 (CHEMBL4061795) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)Oc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H17FN4O4/c22-13-1-3-14(4-2-13)25-10-9-19(23-25)20-17-11-24(12-18(17)20)21(27)30-16-7-5-15(6-8-16)26(28)29/h1-10,17-18,20H,11-12H2/t17-,18+,20+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research and Development , 610 Main Street , Cambridge , Massachusetts 02139 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human FAAH using fluorogenic arachidonoyl-AMC as substrate preincubated for 30 mins followed by substrate addition measured...				J Med Chem 61: 3008-3026 (2018) Article DOI: 10.1021/acs.jmedchem.8b00070 BindingDB Entry DOI: 10.7270/Q2S46VD4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Acetylcholinesterase from human erythrocytes				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141086 (6-[7-(2-Dimethylamino-ethoxy)-indan-4-yl]-pyridin-...) Show SMILES CN(C)CCOc1ccc(c2CCCc12)-c1cccc(N)n1 Show InChI InChI=1S/C18H23N3O/c1-21(2)11-12-22-17-10-9-14(13-5-3-6-15(13)17)16-7-4-8-18(19)20-16/h4,7-10H,3,5-6,11-12H2,1-2H3,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21.8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50255777 (CHEMBL4061795) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)Oc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H17FN4O4/c22-13-1-3-14(4-2-13)25-10-9-19(23-25)20-17-11-24(12-18(17)20)21(27)30-16-7-5-15(6-8-16)26(28)29/h1-10,17-18,20H,11-12H2/t17-,18+,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research and Development , 610 Main Street , Cambridge , Massachusetts 02139 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAGL using fluorogenic-7HCA as substrate preincubated for 30 mins followed by substrate addition measured after 60 mi...				J Med Chem 61: 3008-3026 (2018) Article DOI: 10.1021/acs.jmedchem.8b00070 BindingDB Entry DOI: 10.7270/Q2S46VD4
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50255805 (CHEMBL4086931) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)O[C@H](CF)C(F)(F)F |r| Show InChI InChI=1S/C18H16F5N3O2/c19-7-15(18(21,22)23)28-17(27)25-8-12-13(9-25)16(12)14-5-6-26(24-14)11-3-1-10(20)2-4-11/h1-6,12-13,15-16H,7-9H2/t12-,13+,15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research and Development , 610 Main Street , Cambridge , Massachusetts 02139 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAGL using fluorogenic-7HCA as substrate preincubated for 30 mins followed by substrate addition measured after 60 mi...				J Med Chem 61: 3008-3026 (2018) Article DOI: 10.1021/acs.jmedchem.8b00070 BindingDB Entry DOI: 10.7270/Q2S46VD4
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141082 (6-[4-(2-Dimethylamino-ethoxy)-5,6,7,8-tetrahydro-n...) Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCc12 Show InChI InChI=1S/C19H25N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h5,8-11H,3-4,6-7,12-13H2,1-2H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50091800 (2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...) Show SMILES Cc1ccnc(N)c1 Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50091800 (2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...) Show SMILES Cc1ccnc(N)c1 Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50255786 (CHEMBL4076777) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)ON1C(=O)CCC1=O |r| Show InChI InChI=1S/C19H17FN4O4/c20-11-1-3-12(4-2-11)23-8-7-15(21-23)18-13-9-22(10-14(13)18)19(27)28-24-16(25)5-6-17(24)26/h1-4,7-8,13-14,18H,5-6,9-10H2/t13-,14+,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research and Development , 610 Main Street , Cambridge , Massachusetts 02139 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MAGL using fluorogenic-7HCA as substrate preincubated for 30 mins followed by substrate addition measured after 60 mi...				J Med Chem 61: 3008-3026 (2018) Article DOI: 10.1021/acs.jmedchem.8b00070 BindingDB Entry DOI: 10.7270/Q2S46VD4
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141081 (6-[4-(1-Methyl-pyrrolidin-3-yloxy)-naphthalen-1-yl...) Show SMILES CN1CCC(C1)Oc1ccc(-c2cccc(N)n2)c2ccccc12 Show InChI InChI=1S/C20H21N3O/c1-23-12-11-14(13-23)24-19-10-9-16(15-5-2-3-6-17(15)19)18-7-4-8-20(21)22-18/h2-10,14H,11-13H2,1H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50141086 (6-[7-(2-Dimethylamino-ethoxy)-indan-4-yl]-pyridin-...) Show SMILES CN(C)CCOc1ccc(c2CCCc12)-c1cccc(N)n1 Show InChI InChI=1S/C18H23N3O/c1-21(2)11-12-22-17-10-9-14(13-5-3-6-15(13)17)16-7-4-8-18(19)20-16/h4,7-10H,3,5-6,11-12H2,1-2H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50.6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50150885 (6-(4-Dimethylaminomethyl-5-ethyl-2-methoxy-phenyl)...) Show SMILES CCc1cc(c(OC)cc1CN(C)C)-c1cccc(N)n1 Show InChI InChI=1S/C17H23N3O/c1-5-12-9-14(15-7-6-8-17(18)19-15)16(21-4)10-13(12)11-20(2)3/h6-10H,5,11H2,1-4H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against neuronal nitric oxide synthase in human				Bioorg Med Chem Lett 14: 4511-4 (2004) Article DOI: 10.1016/j.bmcl.2004.06.043 BindingDB Entry DOI: 10.7270/Q28S4QP6
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50150887 (6-[4-(2-Dimethylamino-ethoxy)-5-ethyl-2-methoxy-ph...) Show SMILES CCc1cc(c(OC)cc1OCCN(C)C)-c1cccc(N)n1 Show InChI InChI=1S/C18H25N3O2/c1-5-13-11-14(15-7-6-8-18(19)20-15)17(22-4)12-16(13)23-10-9-21(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against neuronal nitric oxide synthase in human				Bioorg Med Chem Lett 14: 4511-4 (2004) Article DOI: 10.1016/j.bmcl.2004.06.043 BindingDB Entry DOI: 10.7270/Q28S4QP6
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141089 (6-[7-(2-Pyrrolidin-1-yl-ethoxy)-indan-4-yl]-pyridi...) Show SMILES Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2CCCc12 Show InChI InChI=1S/C20H25N3O/c21-20-8-4-7-18(22-20)16-9-10-19(17-6-3-5-15(16)17)24-14-13-23-11-1-2-12-23/h4,7-10H,1-3,5-6,11-14H2,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50141081 (6-[4-(1-Methyl-pyrrolidin-3-yloxy)-naphthalen-1-yl...) Show SMILES CN1CCC(C1)Oc1ccc(-c2cccc(N)n2)c2ccccc12 Show InChI InChI=1S/C20H21N3O/c1-23-12-11-14(13-23)24-19-10-9-16(15-5-2-3-6-17(15)19)18-7-4-8-20(21)22-18/h2-10,14H,11-13H2,1H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50141082 (6-[4-(2-Dimethylamino-ethoxy)-5,6,7,8-tetrahydro-n...) Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCc12 Show InChI InChI=1S/C19H25N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h5,8-11H,3-4,6-7,12-13H2,1-2H3,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70.9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibition of Butyrylcholinesterase from human serum				J Med Chem 38: 2802-8 (1995) BindingDB Entry DOI: 10.7270/Q2Q52NN0
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50150884 (6-[4-(3-Dimethylamino-propyl)-5-ethyl-2-methoxy-ph...) Show SMILES CCc1cc(c(OC)cc1CCCN(C)C)-c1cccc(N)n1 Show InChI InChI=1S/C19H27N3O/c1-5-14-12-16(17-9-6-10-19(20)21-17)18(23-4)13-15(14)8-7-11-22(2)3/h6,9-10,12-13H,5,7-8,11H2,1-4H3,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against neuronal nitric oxide synthase in human				Bioorg Med Chem Lett 14: 4511-4 (2004) Article DOI: 10.1016/j.bmcl.2004.06.043 BindingDB Entry DOI: 10.7270/Q28S4QP6
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50150890 (6-[4-(2-Dimethylamino-ethyl)-5-ethyl-2-methoxy-phe...) Show SMILES CCc1cc(c(OC)cc1CCN(C)C)-c1cccc(N)n1 Show InChI InChI=1S/C18H25N3O/c1-5-13-11-15(16-7-6-8-18(19)20-16)17(22-4)12-14(13)9-10-21(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against neuronal nitric oxide synthase in human				Bioorg Med Chem Lett 14: 4511-4 (2004) Article DOI: 10.1016/j.bmcl.2004.06.043 BindingDB Entry DOI: 10.7270/Q28S4QP6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 216 total )  |  Next  |  Last  >>

Jump to: