Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'vice' and Initial = 'sf'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121132 ((4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1...) Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C34H38N2O7S/c1-24-4-2-3-5-30(24)33(37)36-18-14-27(15-19-36)35-16-12-26(13-17-35)34(42-20-21-43-34)25-6-8-28(9-7-25)44(38,39)29-10-11-31-32(22-29)41-23-40-31/h2-11,22,26-27H,12-21,23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121130 ((2-Amino-3-methyl-phenyl)-(4-{2-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1N Show InChI InChI=1S/C34H41N3O6S/c1-24-4-3-5-31(32(24)35)33(38)37-20-16-27(17-21-37)36-18-14-26(15-19-36)34(42-22-23-43-34)25-6-10-29(11-7-25)44(39,40)30-12-8-28(41-2)9-13-30/h3-13,26-27H,14-23,35H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121134 ((3-Amino-2-methyl-phenyl)-(4-{2-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1C Show InChI InChI=1S/C34H41N3O6S/c1-24-31(4-3-5-32(24)35)33(38)37-20-16-27(17-21-37)36-18-14-26(15-19-36)34(42-22-23-43-34)25-6-10-29(11-7-25)44(39,40)30-12-8-28(41-2)9-13-30/h3-13,26-27H,14-23,35H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121126 ((2-Amino-4-fluoro-phenyl)-(4-{2-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)cc1N Show InChI InChI=1S/C33H38FN3O6S/c1-41-27-5-9-29(10-6-27)44(39,40)28-7-2-23(3-8-28)33(42-20-21-43-33)24-12-16-36(17-13-24)26-14-18-37(19-15-26)32(38)30-11-4-25(34)22-31(30)35/h2-11,22,24,26H,12-21,35H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121138 ((2-Amino-3-fluoro-phenyl)-(4-{2-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(F)c1N Show InChI InChI=1S/C33H38FN3O6S/c1-41-26-7-11-28(12-8-26)44(39,40)27-9-5-23(6-10-27)33(42-21-22-43-33)24-13-17-36(18-14-24)25-15-19-37(20-16-25)32(38)29-3-2-4-30(34)31(29)35/h2-12,24-25H,13-22,35H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121139 ((5-Amino-2-chloro-phenyl)-(4-{2-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cc(N)ccc1Cl Show InChI InChI=1S/C33H38ClN3O6S/c1-41-27-5-9-29(10-6-27)44(39,40)28-7-2-23(3-8-28)33(42-20-21-43-33)24-12-16-36(17-13-24)26-14-18-37(19-15-26)32(38)30-22-25(35)4-11-31(30)34/h2-11,22,24,26H,12-21,35H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121127 ((3-Amino-2-chloro-phenyl)-(4-{2-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1Cl Show InChI InChI=1S/C33H38ClN3O6S/c1-41-26-7-11-28(12-8-26)44(39,40)27-9-5-23(6-10-27)33(42-21-22-43-33)24-13-17-36(18-14-24)25-15-19-37(20-16-25)32(38)29-3-2-4-30(35)31(29)34/h2-12,24-25H,13-22,35H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121124 ((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C Show InChI InChI=1S/C34H40N2O6S/c1-25-5-3-4-6-32(25)33(37)36-21-17-28(18-22-36)35-19-15-27(16-20-35)34(41-23-24-42-34)26-7-11-30(12-8-26)43(38,39)31-13-9-29(40-2)10-14-31/h3-14,27-28H,15-24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121125 ((2-Amino-5-fluoro-phenyl)-(4-{2-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cc(F)ccc1N Show InChI InChI=1S/C33H38FN3O6S/c1-41-27-5-9-29(10-6-27)44(39,40)28-7-2-23(3-8-28)33(42-20-21-43-33)24-12-16-36(17-13-24)26-14-18-37(19-15-26)32(38)30-22-25(34)4-11-31(30)35/h2-11,22,24,26H,12-21,35H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123438 ((3,5-Dichloro-pyridin-4-yl)-(4-methyl-4-{(S)-3-met...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H31Cl2F3N4O/c1-17-16-34(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-33(11-9-25)24(36)23-21(27)14-32-15-22(23)28/h4-7,14-15,17-18H,8-13,16H2,1-3H3/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121131 ((3-Chloro-2-methyl-phenyl)-(4-{2-[4-(4-methoxy-ben...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(Cl)c1C Show InChI InChI=1S/C34H39ClN2O6S/c1-24-31(4-3-5-32(24)35)33(38)37-20-16-27(17-21-37)36-18-14-26(15-19-36)34(42-22-23-43-34)25-6-10-29(11-7-25)44(39,40)30-12-8-28(41-2)9-13-30/h3-13,26-27H,14-23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121144 ((3-Amino-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfon...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1 Show InChI InChI=1S/C33H39N3O6S/c1-40-29-7-11-31(12-8-29)43(38,39)30-9-5-25(6-10-30)33(41-21-22-42-33)26-13-17-35(18-14-26)28-15-19-36(20-16-28)32(37)24-3-2-4-27(34)23-24/h2-12,23,26,28H,13-22,34H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121140 ((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(SCCS1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C Show InChI InChI=1S/C34H40N2O4S3/c1-25-5-3-4-6-32(25)33(37)36-21-17-28(18-22-36)35-19-15-27(16-20-35)34(41-23-24-42-34)26-7-11-30(12-8-26)43(38,39)31-13-9-29(40-2)10-14-31/h3-14,27-28H,15-24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121142 ((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...) Show SMILES CNc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C34H41N3O6S/c1-35-32-6-4-3-5-31(32)33(38)37-21-17-27(18-22-37)36-19-15-26(16-20-36)34(42-23-24-43-34)25-7-11-29(12-8-25)44(39,40)30-13-9-28(41-2)10-14-30/h3-14,26-27,35H,15-24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121129 ((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C34H37F3N2O6S/c1-43-27-8-12-29(13-9-27)46(41,42)28-10-6-24(7-11-28)33(44-22-23-45-33)25-14-18-38(19-15-25)26-16-20-39(21-17-26)32(40)30-4-2-3-5-31(30)34(35,36)37/h2-13,25-26H,14-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121121 ((2-Amino-3-chloro-phenyl)-(4-{2-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(Cl)c1N Show InChI InChI=1S/C33H38ClN3O6S/c1-41-26-7-11-28(12-8-26)44(39,40)27-9-5-23(6-10-27)33(42-21-22-43-33)24-13-17-36(18-14-24)25-15-19-37(20-16-25)32(38)29-3-2-4-30(34)31(29)35/h2-12,24-25H,13-22,35H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121135 ((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1OC Show InChI InChI=1S/C34H40N2O7S/c1-40-28-9-13-30(14-10-28)44(38,39)29-11-7-25(8-12-29)34(42-23-24-43-34)26-15-19-35(20-16-26)27-17-21-36(22-18-27)33(37)31-5-3-4-6-32(31)41-2/h3-14,26-27H,15-24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121136 ((2,3-Dimethyl-phenyl)-(4-{2-[4-(4-methoxy-benzenes...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1C Show InChI InChI=1S/C35H42N2O6S/c1-25-5-4-6-33(26(25)2)34(38)37-21-17-29(18-22-37)36-19-15-28(16-20-36)35(42-23-24-43-35)27-7-11-31(12-8-27)44(39,40)32-13-9-30(41-3)10-14-32/h4-14,28-29H,15-24H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121120 ((2-Amino-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfon...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1N Show InChI InChI=1S/C33H39N3O6S/c1-40-27-8-12-29(13-9-27)43(38,39)28-10-6-24(7-11-28)33(41-22-23-42-33)25-14-18-35(19-15-25)26-16-20-36(21-17-26)32(37)30-4-2-3-5-31(30)34/h2-13,25-26H,14-23,34H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121123 ((2-Chloro-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1Cl Show InChI InChI=1S/C33H37ClN2O6S/c1-40-27-8-12-29(13-9-27)43(38,39)28-10-6-24(7-11-28)33(41-22-23-42-33)25-14-18-35(19-15-25)26-16-20-36(21-17-26)32(37)30-4-2-3-5-31(30)34/h2-13,25-26H,14-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121143 ((2-Bromo-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfon...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1Br Show InChI InChI=1S/C33H37BrN2O6S/c1-40-27-8-12-29(13-9-27)43(38,39)28-10-6-24(7-11-28)33(41-22-23-42-33)25-14-18-35(19-15-25)26-16-20-36(21-17-26)32(37)30-4-2-3-5-31(30)34/h2-13,25-26H,14-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104946 ((2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{(S)-3-met...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121133 ((2,6-Dichloro-phenyl)-(4-{2-[4-(4-methoxy-benzenes...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C33H36Cl2N2O6S/c1-41-26-7-11-28(12-8-26)44(39,40)27-9-5-23(6-10-27)33(42-21-22-43-33)24-13-17-36(18-14-24)25-15-19-37(20-16-25)32(38)31-29(34)3-2-4-30(31)35/h2-12,24-25H,13-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121128 ((4-{2-[4-(4-Methoxy-benzenesulfinyl)-phenyl]-[1,3]...) Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C Show InChI InChI=1S/C34H40N2O5S/c1-25-5-3-4-6-32(25)33(37)36-21-17-28(18-22-36)35-19-15-27(16-20-35)34(40-23-24-41-34)26-7-11-30(12-8-26)42(38)31-13-9-29(39-2)10-14-31/h3-14,27-28H,15-24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123436 ((3,5-Dichloro-1-oxy-pyridin-4-yl)-(4-methyl-4-{(S)...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H31Cl2F3N4O2/c1-17-14-33(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-32(11-9-25)24(36)23-21(27)15-34(37)16-22(23)28/h4-7,15-18H,8-14H2,1-3H3/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123435 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability of compound to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121141 ((2-Fluoro-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1F Show InChI InChI=1S/C33H37FN2O6S/c1-40-27-8-12-29(13-9-27)43(38,39)28-10-6-24(7-11-28)33(41-22-23-42-33)25-14-18-35(19-15-25)26-16-20-36(21-17-26)32(37)30-4-2-3-5-31(30)34/h2-13,25-26H,14-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123445 ((3,5-Dimethyl-pyridin-4-yl)-(4-methyl-4-{(S)-3-met...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cncc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H37F3N4O/c1-19-16-32-17-20(2)25(19)26(36)33-12-10-27(5,11-13-33)34-14-15-35(21(3)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-9,16-17,21-22H,10-15,18H2,1-5H3/t21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104956 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123444 ((4,6-Dimethyl-2-trifluoromethyl-pyrimidin-5-yl)-(4...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H35F6N5O/c1-17-16-38(14-15-39(17)20(4)21-6-8-22(9-7-21)27(29,30)31)26(5)10-12-37(13-11-26)24(40)23-18(2)35-25(28(32,33)34)36-19(23)3/h6-9,17,20H,10-16H2,1-5H3/t17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123442 ((4-Methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromet...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H38F3N5O/c1-18-17-35(15-16-36(18)21(4)23-7-9-24(10-8-23)28(29,30)31)27(6)11-13-34(14-12-27)26(37)25-19(2)32-22(5)33-20(25)3/h7-10,18,21H,11-17H2,1-6H3/t18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123446 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H36F3N5O2/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)37-27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123437 ((2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-...) Show SMILES COc1nc(C)c(C(=O)N2CCC(C)(CC2)N2CCN([C@@H](C)c3ccc(cc3)C(F)(F)F)[C@@H](C)C2)c(C)n1 Show InChI InChI=1S/C28H38F3N5O2/c1-18-17-35(15-16-36(18)21(4)22-7-9-23(10-8-22)28(29,30)31)27(5)11-13-34(14-12-27)25(37)24-19(2)32-26(38-6)33-20(24)3/h7-10,18,21H,11-17H2,1-6H3/t18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123443 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(S)-1-(4-...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(I)cc1 Show InChI InChI=1S/C26H36IN5O/c1-18-16-31(14-15-32(18)21(4)22-6-8-23(27)9-7-22)26(5)10-12-30(13-11-26)25(33)24-19(2)28-17-29-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123439 ((4,6-Dimethyl-2-phenyl-pyrimidin-5-yl)-(4-methyl-4...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)-c1ccccc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C33H40F3N5O/c1-22-21-40(19-20-41(22)25(4)26-11-13-28(14-12-26)33(34,35)36)32(5)15-17-39(18-16-32)31(42)29-23(2)37-30(38-24(29)3)27-9-7-6-8-10-27/h6-14,22,25H,15-21H2,1-5H3/t22-,25-/m0/s1	PDB 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123447 ((3,5-Dimethyl-1-oxy-pyridin-4-yl)-(4-methyl-4-{(S)...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)c[n+]([O-])cc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H37F3N4O2/c1-19-16-34(37)17-20(2)25(19)26(36)32-12-10-27(5,11-13-32)33-14-15-35(21(3)18-33)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-9,16-17,21-22H,10-15,18H2,1-5H3/t21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121122 ((4-{(4R,5R)-2-[4-(4-Methoxy-benzenesulfonyl)-pheny...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(O[C@H](C)[C@@H](C)O1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C Show InChI InChI=1S/C36H44N2O6S/c1-25-7-5-6-8-34(25)35(39)38-23-19-30(20-24-38)37-21-17-29(18-22-37)36(43-26(2)27(3)44-36)28-9-13-32(14-10-28)45(40,41)33-15-11-31(42-4)12-16-33/h5-16,26-27,29-30H,17-24H2,1-4H3/t26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123440 (4-((S)-1-{(S)-4-[1-(4,6-Dimethyl-pyrimidine-5-carb...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C#N Show InChI InChI=1S/C27H36N6O/c1-19-17-32(14-15-33(19)22(4)24-8-6-23(16-28)7-9-24)27(5)10-12-31(13-11-27)26(34)25-20(2)29-18-30-21(25)3/h6-9,18-19,22H,10-15,17H2,1-5H3/t19-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50123441 ((2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H37F3N6O/c1-17-16-35(14-15-36(17)20(4)21-6-8-22(9-7-21)27(28,29)30)26(5)10-12-34(13-11-26)24(37)23-18(2)32-25(31)33-19(23)3/h6-9,17,20H,10-16H2,1-5H3,(H2,31,32,33)/t17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50121137 ((4-{(4R,5R)-2-[4-(4-Methoxy-benzenesulfinyl)-pheny...) Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C1(O[C@H](C)[C@@H](C)O1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C Show InChI InChI=1S/C36H44N2O5S/c1-25-7-5-6-8-34(25)35(39)38-23-19-30(20-24-38)37-21-17-29(18-22-37)36(42-26(2)27(3)43-36)28-9-13-32(14-10-28)44(40)33-15-11-31(41-4)12-16-33/h5-16,26-27,29-30H,17-24H2,1-4H3/t26-,27-,44?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 12: 3479-82 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RGD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50123446 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H36F3N5O2/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)37-27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards muscarinic receptor M2				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50123440 (4-((S)-1-{(S)-4-[1-(4,6-Dimethyl-pyrimidine-5-carb...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C#N Show InChI InChI=1S/C27H36N6O/c1-19-17-32(14-15-33(19)22(4)24-8-6-23(16-28)7-9-24)27(5)10-12-31(13-11-27)26(34)25-20(2)29-18-30-21(25)3/h6-9,18-19,22H,10-15,17H2,1-5H3/t19-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards muscarinic receptor M2				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50123443 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(S)-1-(4-...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(I)cc1 Show InChI InChI=1S/C26H36IN5O/c1-18-16-31(14-15-32(18)21(4)22-6-8-23(27)9-7-22)26(5)10-12-30(13-11-26)25(33)24-19(2)28-17-29-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards muscarinic receptor M2				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50123437 ((2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-...) Show SMILES COc1nc(C)c(C(=O)N2CCC(C)(CC2)N2CCN([C@@H](C)c3ccc(cc3)C(F)(F)F)[C@@H](C)C2)c(C)n1 Show InChI InChI=1S/C28H38F3N5O2/c1-18-17-35(15-16-36(18)21(4)22-7-9-23(10-8-22)28(29,30)31)27(5)11-13-34(14-12-27)25(37)24-19(2)32-26(38-6)33-20(24)3/h7-10,18,21H,11-17H2,1-6H3/t18-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	202	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards muscarinic receptor M2				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50104956 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards muscarinic receptor M2				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50123447 ((3,5-Dimethyl-1-oxy-pyridin-4-yl)-(4-methyl-4-{(S)...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)c[n+]([O-])cc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H37F3N4O2/c1-19-16-34(37)17-20(2)25(19)26(36)32-12-10-27(5,11-13-32)33-14-15-35(21(3)18-33)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-9,16-17,21-22H,10-15,18H2,1-5H3/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards muscarinic receptor M2				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50123436 ((3,5-Dichloro-1-oxy-pyridin-4-yl)-(4-methyl-4-{(S)...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H31Cl2F3N4O2/c1-17-14-33(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-32(11-9-25)24(36)23-21(27)15-34(37)16-22(23)28/h4-7,15-18H,8-14H2,1-3H3/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards muscarinic receptor M2				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50104956 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards muscarinic receptor M1				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50123435 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	456	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of binding affinity of the compound to muscarinic receptor M2				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50123435 ((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	575	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards muscarinic receptor M2				Bioorg Med Chem Lett 13: 567-71 (2003) BindingDB Entry DOI: 10.7270/Q28K78G6
					More data for this Ligand-Target Pair

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