Compile Data Set for Download or QSAR

Found 269 hits with Last Name = 'amin' and Initial = 'j'   

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 (Homo sapiens (Human))	BDBM50095105 (4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O8S2/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0100	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 Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103771 ((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)c1cccc2ccccc12 Show InChI InChI=1S/C37H40N2O6S/c1-43-31-11-15-33(16-12-31)46(41,42)32-13-9-28(10-14-32)37(44-25-26-45-37)29-17-21-38(22-18-29)30-19-23-39(24-20-30)36(40)35-8-4-6-27-5-2-3-7-34(27)35/h2-16,29-30H,17-26H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	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 Antagonistic activity of the compound against muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103774 ((5-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)cccc12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-29-10-14-31(15-11-29)47(42,43)30-12-8-26(9-13-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-6-2-5-33-32(34)4-3-7-35(33)38/h2-15,27-28H,16-25H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	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 Antagonistic activity of the compound against muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103772 ((5,7-Difluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)cc(F)cc12 Show InChI InChI=1S/C37H38F2N2O6S/c1-45-29-7-11-31(12-8-29)48(43,44)30-9-5-25(6-10-30)37(46-21-22-47-37)26-13-17-40(18-14-26)28-15-19-41(20-16-28)36(42)33-4-2-3-32-34(33)23-27(38)24-35(32)39/h2-12,23-24,26,28H,13-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	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 Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103767 ((5,8-Difluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)ccc(F)c12 Show InChI InChI=1S/C37H38F2N2O6S/c1-45-28-7-11-30(12-8-28)48(43,44)29-9-5-25(6-10-29)37(46-23-24-47-37)26-15-19-40(20-16-26)27-17-21-41(22-18-27)36(42)32-4-2-3-31-33(38)13-14-34(39)35(31)32/h2-14,26-27H,15-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	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 Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103773 ((4-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)c2ccccc12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-29-8-12-31(13-9-29)47(42,43)30-10-6-26(7-11-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-14-15-35(38)33-5-3-2-4-32(33)34/h2-15,27-28H,16-25H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103773 ((4-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)c2ccccc12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-29-8-12-31(13-9-29)47(42,43)30-10-6-26(7-11-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-14-15-35(38)33-5-3-2-4-32(33)34/h2-15,27-28H,16-25H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 Antagonistic activity of the compound against muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103768 ((5-Bromo-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(Br)cccc12 Show InChI InChI=1S/C37H39BrN2O6S/c1-44-29-10-14-31(15-11-29)47(42,43)30-12-8-26(9-13-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-6-2-5-33-32(34)4-3-7-35(33)38/h2-15,27-28H,16-25H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 Antagonistic activity of the compound against muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103775 ((6-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-31-8-12-33(13-9-31)47(42,43)32-10-5-27(6-11-32)37(45-23-24-46-37)28-15-19-39(20-16-28)30-17-21-40(22-18-30)36(41)35-4-2-3-26-25-29(38)7-14-34(26)35/h2-14,25,28,30H,15-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.810	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 Antagonistic activity of the compound against muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50111346 ((2-Amino-3-methyl-phenyl)-{4-[4-(3-chloro-benzenes...) Show SMILES Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N Show InChI InChI=1S/C31H36ClN3O3S/c1-22-4-2-7-29(30(22)33)31(36)35-18-14-26(15-19-35)34-16-12-24(13-17-34)20-23-8-10-27(11-9-23)39(37,38)28-6-3-5-25(32)21-28/h2-11,21,24,26H,12-20,33H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.890	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 for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50111332 (CHEMBL276239 | [4-(4-Isopropylsulfanyl-benzyl)-[1,...) Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C31H38N2OS/c1-23(2)35-28-12-10-24(11-13-28)22-25-14-18-32(19-15-25)27-16-20-33(21-17-27)31(34)30-9-5-7-26-6-3-4-8-29(26)30/h3-13,23,25,27H,14-22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103769 ((8-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2cccc(F)c12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-30-10-14-32(15-11-30)47(42,43)31-12-8-27(9-13-31)37(45-24-25-46-37)28-16-20-39(21-17-28)29-18-22-40(23-19-29)36(41)33-6-2-4-26-5-3-7-34(38)35(26)33/h2-15,28-29H,16-25H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.990	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 Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103770 ((7-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2ccc(F)cc12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-31-9-13-33(14-10-31)47(42,43)32-11-6-27(7-12-32)37(45-23-24-46-37)28-15-19-39(20-16-28)30-17-21-40(22-18-30)36(41)34-4-2-3-26-5-8-29(38)25-35(26)34/h2-14,25,28,30H,15-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 Antagonistic activity of the compound against muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103776 ((6-Chloro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2cc(Cl)ccc12 Show InChI InChI=1S/C37H39ClN2O6S/c1-44-31-8-12-33(13-9-31)47(42,43)32-10-5-27(6-11-32)37(45-23-24-46-37)28-15-19-39(20-16-28)30-17-21-40(22-18-30)36(41)35-4-2-3-26-25-29(38)7-14-34(26)35/h2-14,25,28,30H,15-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 Antagonistic activity of the compound against muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50121488 ((4-Fluoro-naphthalen-1-yl)-(4-{1-[4-(propane-2-sul...) Show SMILES [#6]-[#6](-[#6])S(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(F)c2ccccc12 Show InChI InChI=1S/C32H37FN2O2S/c1-22(2)38(37)27-10-8-24(9-11-27)23(3)25-14-18-34(19-15-25)26-16-20-35(21-17-26)32(36)30-12-13-31(33)29-7-5-4-6-28(29)30/h4-13,22,26H,14-21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.40	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 for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50121488 ((4-Fluoro-naphthalen-1-yl)-(4-{1-[4-(propane-2-sul...) Show SMILES [#6]-[#6](-[#6])S(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(F)c2ccccc12 Show InChI InChI=1S/C32H37FN2O2S/c1-22(2)38(37)27-10-8-24(9-11-27)23(3)25-14-18-34(19-15-25)26-16-20-35(21-17-26)32(36)30-12-13-31(33)29-7-5-4-6-28(29)30/h4-13,22,26H,14-21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Binding affinity for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50121488 ((4-Fluoro-naphthalen-1-yl)-(4-{1-[4-(propane-2-sul...) Show SMILES [#6]-[#6](-[#6])S(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(F)c2ccccc12 Show InChI InChI=1S/C32H37FN2O2S/c1-22(2)38(37)27-10-8-24(9-11-27)23(3)25-14-18-34(19-15-25)26-16-20-35(21-17-26)32(36)30-12-13-31(33)29-7-5-4-6-28(29)30/h4-13,22,26H,14-21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Binding affinity for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM35938 (1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...) Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	5.5	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 against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50063449 (8-Chloro-11-piperazin-1-yl-6,11-dihydro-5H-benzo[5...) Show SMILES Clc1ccc2C(N3CCNCC3)c3ncccc3CCc2c1 Show InChI InChI=1S/C18H20ClN3/c19-15-5-6-16-14(12-15)4-3-13-2-1-7-21-17(13)18(16)22-10-8-20-9-11-22/h1-2,5-7,12,18,20H,3-4,8-11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.40	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 against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50073184 (8-Chloro-11-(4-methyl-piperazin-1-yl)-6,11-dihydro...) Show SMILES CN1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12 Show InChI InChI=1S/C19H22ClN3/c1-22-9-11-23(12-10-22)19-17-7-6-16(20)13-15(17)5-4-14-3-2-8-21-18(14)19/h2-3,6-8,13,19H,4-5,9-12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50121489 ((2-Amino-3-methyl-phenyl)-(4-{1-[4-(propane-2-sulf...) Show SMILES [#6]-[#6](-[#6])S(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(-[#6])c1-[#7] Show InChI InChI=1S/C29H39N3O2S/c1-20(2)35(34)26-10-8-23(9-11-26)22(4)24-12-16-31(17-13-24)25-14-18-32(19-15-25)29(33)27-7-5-6-21(3)28(27)30/h5-11,20,25H,12-19,30H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.60	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 for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50121492 ((4-Fluoro-naphthalen-1-yl)-(4-{1-[4-(propane-2-sul...) Show SMILES [#6]-[#6](-[#6])S(=O)(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(F)c2ccccc12 Show InChI InChI=1S/C32H37FN2O3S/c1-22(2)39(37,38)27-10-8-24(9-11-27)23(3)25-14-18-34(19-15-25)26-16-20-35(21-17-26)32(36)30-12-13-31(33)29-7-5-4-6-28(29)30/h4-13,22,26H,14-21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.60	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 for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50121489 ((2-Amino-3-methyl-phenyl)-(4-{1-[4-(propane-2-sulf...) Show SMILES [#6]-[#6](-[#6])S(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(-[#6])c1-[#7] Show InChI InChI=1S/C29H39N3O2S/c1-20(2)35(34)26-10-8-23(9-11-26)22(4)24-12-16-31(17-13-24)25-14-18-32(19-15-25)29(33)27-7-5-6-21(3)28(27)30/h5-11,20,25H,12-19,30H2,1-4H3	PDB UniProtKB/SwissProt 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 Binding affinity for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50121489 ((2-Amino-3-methyl-phenyl)-(4-{1-[4-(propane-2-sulf...) Show SMILES [#6]-[#6](-[#6])S(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(-[#6])c1-[#7] Show InChI InChI=1S/C29H39N3O2S/c1-20(2)35(34)26-10-8-23(9-11-26)22(4)24-12-16-31(17-13-24)25-14-18-32(19-15-25)29(33)27-7-5-6-21(3)28(27)30/h5-11,20,25H,12-19,30H2,1-4H3	PDB UniProtKB/SwissProt 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 Binding affinity for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50121491 ((2-Amino-3-methyl-phenyl)-(4-{1-[4-(propane-2-sulf...) Show SMILES [#6]-[#6](-[#6])S(=O)(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(-[#6])c1-[#7] Show InChI InChI=1S/C29H39N3O3S/c1-20(2)36(34,35)26-10-8-23(9-11-26)22(4)24-12-16-31(17-13-24)25-14-18-32(19-15-25)29(33)27-7-5-6-21(3)28(27)30/h5-11,20,25H,12-19,30H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	32	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 for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103777 (4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]d...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H40N2O7S2/c1-3-22-39(32,33)31-18-14-25(15-19-31)30-16-12-24(13-17-30)29(37-20-21-38-29)23-4-8-27(9-5-23)40(34,35)28-10-6-26(36-2)7-11-28/h4-11,24-25H,3,12-22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	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 Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50073186 (4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1...) Show SMILES CN1CCN(CC1=O)C1c2ccc(Cl)cc2CCc2cccnc12 Show InChI InChI=1S/C19H20ClN3O/c1-22-9-10-23(12-17(22)24)19-16-7-6-15(20)11-14(16)5-4-13-3-2-8-21-18(13)19/h2-3,6-8,11,19H,4-5,9-10,12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	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 against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50111358 ((2-Amino-3-methyl-phenyl)-{4-[4-(propane-2-sulfony...) Show SMILES CC(C)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(C)c2N)cc1 Show InChI InChI=1S/C28H39N3O3S/c1-20(2)35(33,34)25-9-7-22(8-10-25)19-23-11-15-30(16-12-23)24-13-17-31(18-14-24)28(32)26-6-4-5-21(3)27(26)29/h4-10,20,23-24H,11-19,29H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	104	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 for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50073172 (4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1...) Show SMILES Clc1ccc2C(N3CCNC(=O)C3)c3ncccc3CCc2c1 Show InChI InChI=1S/C18H18ClN3O/c19-14-5-6-15-13(10-14)4-3-12-2-1-7-21-17(12)18(15)22-9-8-20-16(23)11-22/h1-2,5-7,10,18H,3-4,8-9,11H2,(H,20,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	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 against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50121490 ((4-Fluoro-naphthalen-1-yl)-{4-[4-(propane-2-sulfon...) Show SMILES CC(C)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1 Show InChI InChI=1S/C31H37FN2O3S/c1-22(2)38(36,37)26-9-7-23(8-10-26)21-24-13-17-33(18-14-24)25-15-19-34(20-16-25)31(35)29-11-12-30(32)28-6-4-3-5-27(28)29/h3-12,22,24-25H,13-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	221	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 for human Muscarinic acetylcholine receptor M2				J Med Chem 45: 5415-8 (2002) BindingDB Entry DOI: 10.7270/Q2ST7P6N
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50073180 (4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1...) Show SMILES Clc1ccc2C(N3CCN(CC3)C=O)c3ncccc3CCc2c1 Show InChI InChI=1S/C19H20ClN3O/c20-16-5-6-17-15(12-16)4-3-14-2-1-7-21-18(14)19(17)23-10-8-22(13-24)9-11-23/h1-2,5-7,12-13,19H,3-4,8-11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	290	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 against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50007473 (1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...) Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	320	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 against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50073176 (1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohept...) Show SMILES CC(=O)N1CCCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12 Show InChI InChI=1S/C21H24ClN3O/c1-15(26)24-10-3-11-25(13-12-24)21-19-8-7-18(22)14-17(19)6-5-16-4-2-9-23-20(16)21/h2,4,7-9,14,21H,3,5-6,10-13H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	970	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 against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50073182 (1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohept...) Show SMILES CCC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12 Show InChI InChI=1S/C21H24ClN3O/c1-2-19(26)24-10-12-25(13-11-24)21-18-8-7-17(22)14-16(18)6-5-15-4-3-9-23-20(15)21/h3-4,7-9,14,21H,2,5-6,10-13H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+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 Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50403681 (CHEMBL2111767) Show SMILES CC(=O)N1CCN(CC1)[C@@H]1c2ccc(Cl)cc2CCc2cccnc12 |r| Show InChI InChI=1S/C20H22ClN3O/c1-14(25)23-9-11-24(12-10-23)20-18-7-6-17(21)13-16(18)5-4-15-3-2-8-22-19(15)20/h2-3,6-8,13,20H,4-5,9-12H2,1H3/t20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+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 Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50073185 (2-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1...) Show SMILES Clc1ccc2C(N3CCN4C(CCC4=O)C3)c3ncccc3CCc2c1 Show InChI InChI=1S/C21H22ClN3O/c22-16-5-7-18-15(12-16)4-3-14-2-1-9-23-20(14)21(18)24-10-11-25-17(13-24)6-8-19(25)26/h1-2,5,7,9,12,17,21H,3-4,6,8,10-11,13H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+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 Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50073175 (1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohept...) Show SMILES CCCC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12 Show InChI InChI=1S/C22H26ClN3O/c1-2-4-20(27)25-11-13-26(14-12-25)22-19-9-8-18(23)15-17(19)7-6-16-5-3-10-24-21(16)22/h3,5,8-10,15,22H,2,4,6-7,11-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+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 Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50073181 (1-[4-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-y...) Show SMILES CC(=O)N1CCN(CC1)C1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C21H24N2O/c1-16(24)22-12-14-23(15-13-22)21-19-8-4-2-6-17(19)10-11-18-7-3-5-9-20(18)21/h2-9,21H,10-15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.70E+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 Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50073173 (1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohept...) Show SMILES CC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12 Show InChI InChI=1S/C20H22ClN3O/c1-14(25)23-9-11-24(12-10-23)20-18-7-6-17(21)13-16(18)5-4-15-3-2-8-22-19(15)20/h2-3,6-8,13,20H,4-5,9-12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.40E+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 Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50450777 (CHEMBL2448125) Show SMILES CC(=O)N1CCN(CC1)[C@H]1c2ccc(Cl)cc2CCc2cccnc12 |r| Show InChI InChI=1S/C20H22ClN3O/c1-14(25)23-9-11-24(12-10-23)20-18-7-6-17(21)13-16(18)5-4-15-3-2-8-22-19(15)20/h2-3,6-8,13,20H,4-5,9-12H2,1H3/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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 against Histamine H1 receptor using receptor binding assay in rat brain membranes				Bioorg Med Chem Lett 8: 3469-74 (1999) BindingDB Entry DOI: 10.7270/Q21J98X8
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50292221 ((S)-3-(2,4-Dichloro-phenyl)-1-(2-diethylamino-ethy...) Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)7-8-30-17-10-12(19(28)31)9-15(22(25,26)27)18(17)21(33,20(30)32)14-6-5-13(23)11-16(14)24/h5-6,9-11,33H,3-4,7-8H2,1-2H3,(H2,28,31)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation				Bioorg Med Chem Lett 15: 1789-92 (2005) Article DOI: 10.1016/j.bmcl.2005.02.042 BindingDB Entry DOI: 10.7270/Q24J0FWD
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50366689 (GHRELIN) Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)| Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation				Bioorg Med Chem Lett 15: 1789-92 (2005) Article DOI: 10.1016/j.bmcl.2005.02.042 BindingDB Entry DOI: 10.7270/Q24J0FWD
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50292225 ((S)-3-(2,5-Dichloro-phenyl)-1-(2-diethylamino-ethy...) Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)7-8-30-17-10-12(19(28)31)9-15(22(25,26)27)18(17)21(33,20(30)32)14-11-13(23)5-6-16(14)24/h5-6,9-11,33H,3-4,7-8H2,1-2H3,(H2,28,31)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation				Bioorg Med Chem Lett 15: 1789-92 (2005) Article DOI: 10.1016/j.bmcl.2005.02.042 BindingDB Entry DOI: 10.7270/Q24J0FWD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.721	n/a	n/a	n/a	n/a	7.5	n/a
Genentech, Inc.					Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ...				J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.41	n/a	n/a	n/a	n/a	7.5	n/a
Genentech, Inc.					Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ...				J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50292228 ((S)-3-(2,3-Dichloro-phenyl)-1-(2-diethylamino-ethy...) Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)8-9-30-16-11-12(19(28)31)10-14(22(25,26)27)17(16)21(33,20(30)32)13-6-5-7-15(23)18(13)24/h5-7,10-11,33H,3-4,8-9H2,1-2H3,(H2,28,31)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation				Bioorg Med Chem Lett 15: 1789-92 (2005) Article DOI: 10.1016/j.bmcl.2005.02.042 BindingDB Entry DOI: 10.7270/Q24J0FWD
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50151162 ((S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...) Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation				Bioorg Med Chem Lett 15: 1789-92 (2005) Article DOI: 10.1016/j.bmcl.2005.02.042 BindingDB Entry DOI: 10.7270/Q24J0FWD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50492297 (CHEMBL2397751) Show SMILES CCOC(=O)c1c(C)cc2nc(COC(=O)NCCO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C |(2.88,-6.78,;4.21,-6.01,;5.54,-6.78,;6.88,-6.01,;6.88,-4.47,;8.21,-6.78,;8.21,-8.33,;6.87,-9.1,;9.54,-9.1,;10.87,-8.32,;12.2,-9.09,;13.54,-8.33,;14.88,-9.1,;16.21,-8.33,;17.54,-9.11,;17.54,-10.65,;18.88,-8.34,;20.21,-9.11,;21.55,-8.35,;22.88,-9.12,;13.55,-6.78,;14.88,-6.01,;16.21,-6.79,;17.55,-6.03,;17.55,-4.49,;16.21,-3.71,;14.88,-4.48,;13.55,-3.72,;12.05,-3.31,;13.14,-5.2,;13.54,-2.18,;12.21,-1.41,;12.21,-6,;12.21,-4.46,;10.87,-6.78,;9.54,-6.01,;9.53,-4.47,)| Show InChI InChI=1S/C24H28N4O8S/c1-5-35-23(31)20-14(2)12-16-21(15(20)3)22(30)28(19(27-16)13-36-24(32)26-10-11-29)17-8-6-7-9-18(17)37(33,34)25-4/h6-9,12,25,29H,5,10-11,13H2,1-4H3,(H,26,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Agonist activity at CB2 receptor (unknown origin)				J Med Chem 56: 5464-72 (2013) Article DOI: 10.1021/jm4004939 BindingDB Entry DOI: 10.7270/Q2833VZ5
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50151162 ((S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...) Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation				Bioorg Med Chem Lett 15: 1789-92 (2005) Article DOI: 10.1016/j.bmcl.2005.02.042 BindingDB Entry DOI: 10.7270/Q24J0FWD
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50292230 ((S)-3-(2,6-Dichloro-phenyl)-1-(2-diethylamino-ethy...) Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)8-9-30-16-11-12(19(28)31)10-13(22(25,26)27)17(16)21(33,20(30)32)18-14(23)6-5-7-15(18)24/h5-7,10-11,33H,3-4,8-9H2,1-2H3,(H2,28,31)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation				Bioorg Med Chem Lett 15: 1789-92 (2005) Article DOI: 10.1016/j.bmcl.2005.02.042 BindingDB Entry DOI: 10.7270/Q24J0FWD
					More data for this Ligand-Target Pair

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