Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'dunn' and Initial = 'wj'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083671 (19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083670 (19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083670 (19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083669 (7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083671 (19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083671 (19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083669 (7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083669 (7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083670 (19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonistic activity against human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50027970 (5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50404462 (4-Hydroxytrimethoprim | CHEMBL1181) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174850 (3-(9H-fluoren-2-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C=C(C2)c1ccc-2c(Cc3ccccc-23)c1 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C21H21N/c1-22-18-7-8-19(22)13-16(12-18)14-6-9-21-17(10-14)11-15-4-2-3-5-20(15)21/h2-6,9-10,12,18-19H,7-8,11,13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50405965 (CHEMBL287241) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1 Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-8(5-11(6-10)19-2)3-9-7-16-13(15)17-12(9)14/h4-7H,3H2,1-2H3,(H4,14,15,16,17)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL 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
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018292 (11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(C)cc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-12-11-18(3)15-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018304 (11-(2-{2-[(Cycloheptyl-methyl-amino)-methyl]-piper...) Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCCC1 Show InChI InChI=1S/C28H37N5O2/c1-31(21-11-4-2-3-5-12-21)19-22-13-8-9-18-32(22)20-26(34)33-25-16-7-6-14-23(25)28(35)30-24-15-10-17-29-27(24)33/h6-7,10,14-17,21-22H,2-5,8-9,11-13,18-20H2,1H3,(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50405982 (CHEMBL56602) Show SMILES Cc1cc(C)cc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C13H16N4/c1-8-3-9(2)5-10(4-8)6-11-7-16-13(15)17-12(11)14/h3-5,7H,6H2,1-2H3,(H4,14,15,16,17)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018302 (9-Chloro-11-[2-(2-diethylaminomethyl-piperidin-1-y...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H30ClN5O2/c1-3-28(4-2)15-18-8-5-6-13-29(18)16-22(31)30-21-14-17(25)10-11-19(21)24(32)27-20-9-7-12-26-23(20)30/h7,9-12,14,18H,3-6,8,13,15-16H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018291 (11-{2-[2-(3-Diethylamino-propyl)-piperidin-1-yl]-a...) Show SMILES CCN(CC)CCCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C26H35N5O2/c1-3-29(4-2)17-10-12-20-11-7-8-18-30(20)19-24(32)31-23-15-6-5-13-21(23)26(33)28-22-14-9-16-27-25(22)31/h5-6,9,13-16,20H,3-4,7-8,10-12,17-19H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018314 (11-(2-{2-[(Cyclohexyl-methyl-amino)-methyl]-piperi...) Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCC1 Show InChI InChI=1S/C27H35N5O2/c1-30(20-10-3-2-4-11-20)18-21-12-7-8-17-31(21)19-25(33)32-24-15-6-5-13-22(24)27(34)29-23-14-9-16-28-26(23)32/h5-6,9,13-16,20-21H,2-4,7-8,10-12,17-19H2,1H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50018304 (11-(2-{2-[(Cycloheptyl-methyl-amino)-methyl]-piper...) Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCCC1 Show InChI InChI=1S/C28H37N5O2/c1-31(21-11-4-2-3-5-12-21)19-22-13-8-9-18-32(22)20-26(34)33-25-16-7-6-14-23(25)28(35)30-24-15-10-17-29-27(24)33/h6-7,10,14-17,21-22H,2-5,8-9,11-13,18-20H2,1H3,(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of rat submandibular muscarinic (M3) receptor isolated from tissue homogenates				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018294 (11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-15-18(3)11-12-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174847 (3-(1H-indol-3-yl)-8-methyl-8-aza-bicyclo[3.2.1]oct...) Show SMILES CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C16H18N2/c1-18-12-6-7-13(18)9-11(8-12)15-10-17-16-5-3-2-4-14(15)16/h2-5,8,10,12-13,17H,6-7,9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50138701 (6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...) Show SMILES COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018306 (8-Chloro-11-[2-(2-diethylaminomethyl-piperidin-1-y...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H30ClN5O2/c1-3-28(4-2)15-18-8-5-6-13-29(18)16-22(31)30-21-11-10-17(25)14-19(21)24(32)27-20-9-7-12-26-23(20)30/h7,9-12,14,18H,3-6,8,13,15-16H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018298 (11-(2-{2-[(Butyl-methyl-amino)-methyl]-piperidin-1...) Show SMILES CCCCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C25H33N5O2/c1-3-4-15-28(2)17-19-10-7-8-16-29(19)18-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-14-26-24(21)30/h5-6,9,11-14,19H,3-4,7-8,10,15-18H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018293 (11-(2-{2-[(Ethyl-methyl-amino)-methyl]-piperidin-1...) Show SMILES CCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C23H29N5O2/c1-3-26(2)15-17-9-6-7-14-27(17)16-21(29)28-20-12-5-4-10-18(20)23(30)25-19-11-8-13-24-22(19)28/h4-5,8,10-13,17H,3,6-7,9,14-16H2,1-2H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018297 (11-[2-(2-Dimethylaminomethyl-piperidin-1-yl)-acety...) Show SMILES CN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C22H27N5O2/c1-25(2)14-16-8-5-6-13-26(16)15-20(28)27-19-11-4-3-9-17(19)22(29)24-18-10-7-12-23-21(18)27/h3-4,7,9-12,16H,5-6,8,13-15H2,1-2H3,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50018314 (11-(2-{2-[(Cyclohexyl-methyl-amino)-methyl]-piperi...) Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCC1 Show InChI InChI=1S/C27H35N5O2/c1-30(20-10-3-2-4-11-20)18-21-12-7-8-17-31(21)19-25(33)32-24-15-6-5-13-22(24)27(34)29-23-14-9-16-28-26(23)32/h5-6,9,13-16,20-21H,2-4,7-8,10-12,17-19H2,1H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of rat submandibular muscarinic (M3) receptor isolated from tissue homogenates				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018305 (8-Bromo-11-[2-(2-diethylaminomethyl-piperidin-1-yl...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H30BrN5O2/c1-3-28(4-2)15-18-8-5-6-13-29(18)16-22(31)30-21-11-10-17(25)14-19(21)24(32)27-20-9-7-12-26-23(20)30/h7,9-12,14,18H,3-6,8,13,15-16H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018299 (11-[2-(2-Diethylaminomethyl-pyrrolidin-1-yl)-acety...) Show SMILES CCN(CC)CC1CCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C23H29N5O2/c1-3-26(4-2)15-17-9-8-14-27(17)16-21(29)28-20-12-6-5-10-18(20)23(30)25-19-11-7-13-24-22(19)28/h5-7,10-13,17H,3-4,8-9,14-16H2,1-2H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018313 (11-[2-(3-Diethylaminomethyl-piperidin-1-yl)-acetyl...) Show SMILES CCN(CC)CC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)C1 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)15-18-9-8-14-28(16-18)17-22(30)29-21-12-6-5-10-19(21)24(31)26-20-11-7-13-25-23(20)29/h5-7,10-13,18H,3-4,8-9,14-17H2,1-2H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50018291 (11-{2-[2-(3-Diethylamino-propyl)-piperidin-1-yl]-a...) Show SMILES CCN(CC)CCCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C26H35N5O2/c1-3-29(4-2)17-10-12-20-11-7-8-18-30(20)19-24(32)31-23-15-6-5-13-21(23)26(33)28-22-14-9-16-27-25(22)31/h5-6,9,13-16,20H,3-4,7-8,10-12,17-19H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of rat submandibular muscarinic (M3) receptor isolated from tissue homogenates				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018296 (11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(CC)cc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C26H35N5O2/c1-4-19-12-13-23-21(16-19)26(33)28-22-11-9-14-27-25(22)31(23)24(32)18-30-15-8-7-10-20(30)17-29(5-2)6-3/h9,11-14,16,20H,4-8,10,15,17-18H2,1-3H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50018298 (11-(2-{2-[(Butyl-methyl-amino)-methyl]-piperidin-1...) Show SMILES CCCCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C25H33N5O2/c1-3-4-15-28(2)17-19-10-7-8-16-29(19)18-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-14-26-24(21)30/h5-6,9,11-14,19H,3-4,7-8,10,15-18H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of rat submandibular muscarinic (M3) receptor isolated from tissue homogenates				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018300 (11-[3-(2-Diethylaminomethyl-piperidin-1-yl)-propio...) Show SMILES CCN(CC)CC1CCCCN1CCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C25H33N5O2/c1-3-28(4-2)18-19-10-7-8-16-29(19)17-14-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-15-26-24(21)30/h5-6,9,11-13,15,19H,3-4,7-8,10,14,16-18H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50018313 (11-[2-(3-Diethylaminomethyl-piperidin-1-yl)-acetyl...) Show SMILES CCN(CC)CC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)C1 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)15-18-9-8-14-28(16-18)17-22(30)29-21-12-6-5-10-19(21)24(31)26-20-11-7-13-25-23(20)29/h5-7,10-13,18H,3-4,8-9,14-17H2,1-2H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of rat submandibular muscarinic (M3) receptor isolated from tissue homogenates				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50404463 (CHEMBL339058) Show SMILES COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1O Show InChI InChI=1S/C14H18N4O3/c1-7-9(13(15)18-14(16)17-7)4-8-5-10(20-2)12(19)11(6-8)21-3/h5-6,19H,4H2,1-3H3,(H4,15,16,17,18)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018307 (11-{2-[2-(2-Diethylamino-ethyl)-piperidin-1-yl]-ac...) Show SMILES CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C25H33N5O2/c1-3-28(4-2)17-14-19-10-7-8-16-29(19)18-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-15-26-24(21)30/h5-6,9,11-13,15,19H,3-4,7-8,10,14,16-18H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50081908 (5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...) Show SMILES COc1cccc(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C12H14N4O/c1-17-10-4-2-3-8(6-10)5-9-7-15-12(14)16-11(9)13/h2-4,6-7H,5H2,1H3,(H4,13,14,15,16)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50405966 (CHEMBL56101) Show SMILES Nc1ncc(Cc2ccc(cc2)-c2ccccc2)c(N)n1 Show InChI InChI=1S/C17H16N4/c18-16-15(11-20-17(19)21-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H4,18,19,20,21)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of muscarinic (M2) receptor isolated from rat atria				J Med Chem 37: 3775-88 (1994) BindingDB Entry DOI: 10.7270/Q2QC02JX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50406000 (CHEMBL19293) Show SMILES Nc1ncc(Cc2ccc(Br)cc2)c(N)n1 Show InChI InChI=1S/C11H11BrN4/c12-9-3-1-7(2-4-9)5-8-6-15-11(14)16-10(8)13/h1-4,6H,5H2,(H4,13,14,15,16)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60612 Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.				J Med Chem 39: 4825-32 (1996) Article DOI: 10.1021/jm960491r BindingDB Entry DOI: 10.7270/Q2668GXG
					More data for this Ligand-Target Pair

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