Compile Data Set for Download or QSAR

Found 530 hits with Last Name = 'yang' and Initial = 'lm'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484748 (CHEMBL1957077) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccncc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C30H38N4O6S/c1-21(2)18-34(41(37,38)27-9-7-25(31)8-10-27)19-29(35)28(33-30(36)40-26-13-16-39-20-26)17-22-3-5-23(6-4-22)24-11-14-32-15-12-24/h3-12,14-15,21,26,28-29,35H,13,16-20,31H2,1-2H3,(H,33,36)/t26-,28-,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092959 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092961 (1-(isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenyls...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)C(C)C Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)37(33,34)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(3)23-5-9-27(10-6-23)36(31,32)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092969 (CHEMBL74117 | Cyclopropyl-(4-{1-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C29H36N2O4S/c1-21(22-5-9-27(10-6-22)36(33,34)28-11-7-26(35-2)8-12-28)23-13-17-30(18-14-23)25-15-19-31(20-16-25)29(32)24-3-4-24/h5-12,23-25H,1,3-4,13-20H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092958 (4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)p...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H38N2O5S2/c1-4-21-36(31,32)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092962 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCC(C)C Show InChI InChI=1S/C30H40N2O5S/c1-22(2)21-37-30(33)32-19-15-26(16-20-32)31-17-13-25(14-18-31)23(3)24-5-9-28(10-6-24)38(34,35)29-11-7-27(36-4)8-12-29/h5-12,22,25-26H,3,13-21H2,1-2,4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484746 (CHEMBL1957076) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(cc1)-c1cccnc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C30H38N4O6S/c1-21(2)18-34(41(37,38)27-11-9-25(31)10-12-27)19-29(35)28(33-30(36)40-26-13-15-39-20-26)16-22-5-7-23(8-6-22)24-4-3-14-32-17-24/h3-12,14,17,21,26,28-29,35H,13,15-16,18-20,31H2,1-2H3,(H,33,36)/t26-,28-,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092968 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C30H40N2O5S/c1-4-5-22-37-30(33)32-20-16-26(17-21-32)31-18-14-25(15-19-31)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092974 (1'-Benzenesulfonyl-4-{1-[4-(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H36N2O5S2/c1-24(25-8-12-29(13-9-25)39(34,35)30-14-10-28(38-2)11-15-30)26-16-20-32(21-17-26)27-18-22-33(23-19-27)40(36,37)31-6-4-3-5-7-31/h3-15,26-27H,1,16-23H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092965 (1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...) Show SMILES CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H38N2O4S/c1-4-5-29(32)31-20-16-25(17-21-31)30-18-14-24(15-19-30)22(2)23-6-10-27(11-7-23)36(33,34)28-12-8-26(35-3)9-13-28/h6-13,24-25H,2,4-5,14-21H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092960 (1'-(Butane-1-sulfonyl)-4-{1-[4-(4-methoxy-benzenes...) Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H40N2O5S2/c1-4-5-22-37(32,33)31-20-16-26(17-21-31)30-18-14-25(15-19-30)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092973 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OC(C)C Show InChI InChI=1S/C29H38N2O5S/c1-21(2)36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092963 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C33H38N2O5S/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)40-24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092970 (1'-Ethanesulfonyl-4-{1-[4-(4-methoxy-benzenesulfon...) Show SMILES CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C27H36N2O5S2/c1-4-35(30,31)29-19-15-24(16-20-29)28-17-13-23(14-18-28)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092972 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES CCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H38N2O5S/c1-4-21-36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092964 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C27H34N2O5S/c1-20(22-12-16-28(17-13-22)23-14-18-29(19-15-23)27(30)34-3)21-4-8-25(9-5-21)35(31,32)26-10-6-24(33-2)7-11-26/h4-11,22-23H,1,12-19H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.991	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092957 (4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)-1-(...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1 Show InChI InChI=1S/C25H32N2O3S/c1-19(21-13-17-27(18-14-21)22-11-15-26-16-12-22)20-3-7-24(8-4-20)31(28,29)25-9-5-23(30-2)6-10-25/h3-10,21-22,26H,1,11-18H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092966 (1-(benzylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C32H38N2O5S2/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-33(21-17-28)29-18-22-34(23-19-29)40(35,36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484737 (CHEMBL1957071) Show SMILES COC(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)O[C@H]2CCOC2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C34H42N2O9S/c1-23(2)20-36(46(40,41)30-14-12-28(42-3)13-15-30)21-32(37)31(35-34(39)45-29-16-17-44-22-29)18-24-8-10-25(11-9-24)26-6-5-7-27(19-26)33(38)43-4/h5-15,19,23,29,31-32,37H,16-18,20-22H2,1-4H3,(H,35,39)/t29-,31-,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484739 (CHEMBL1957073) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1cccnc1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C31H39N3O7S/c1-22(2)19-34(42(37,38)28-12-10-26(39-3)11-13-28)20-30(35)29(33-31(36)41-27-14-16-40-21-27)17-23-6-8-24(9-7-23)25-5-4-15-32-18-25/h4-13,15,18,22,27,29-30,35H,14,16-17,19-21H2,1-3H3,(H,33,36)/t27-,29-,30+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484735 (CHEMBL1957068) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccc(OC)c(C)c1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C34H44N2O8S/c1-23(2)20-36(45(39,40)30-13-11-28(41-4)12-14-30)21-32(37)31(35-34(38)44-29-16-17-43-22-29)19-25-6-8-26(9-7-25)27-10-15-33(42-5)24(3)18-27/h6-15,18,23,29,31-32,37H,16-17,19-22H2,1-5H3,(H,35,38)/t29-,31-,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484749 (CHEMBL1957069) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C33H40N2O9S/c1-22(2)19-35(45(40,41)29-14-12-27(42-3)13-15-29)20-31(36)30(34-33(39)44-28-16-17-43-21-28)18-23-4-6-24(7-5-23)25-8-10-26(11-9-25)32(37)38/h4-15,22,28,30-31,36H,16-21H2,1-3H3,(H,34,39)(H,37,38)/t28-,30-,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484740 (CHEMBL1957075) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C31H39N3O6S/c1-22(2)19-34(41(37,38)28-14-12-26(32)13-15-28)20-30(35)29(33-31(36)40-27-16-17-39-21-27)18-23-8-10-25(11-9-23)24-6-4-3-5-7-24/h3-15,22,27,29-30,35H,16-21,32H2,1-2H3,(H,33,36)/t27-,29-,30+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092971 (1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C(C)C Show InChI InChI=1S/C29H38N2O4S/c1-21(2)29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)36(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092975 (1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C33H38N2O4S/c1-25(27-8-12-31(13-9-27)40(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484745 (CHEMBL1955878) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C30H38N2O7S2/c1-21(2)17-32(41(35,36)27-10-8-25(37-3)9-11-27)18-29(33)28(31-30(34)39-26-12-14-38-19-26)16-22-4-6-23(7-5-22)24-13-15-40-20-24/h4-11,13,15,20-21,26,28-29,33H,12,14,16-19H2,1-3H3,(H,31,34)/t26-,28-,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484743 (CHEMBL1957074) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccncc1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C31H39N3O7S/c1-22(2)19-34(42(37,38)28-10-8-26(39-3)9-11-28)20-30(35)29(33-31(36)41-27-14-17-40-21-27)18-23-4-6-24(7-5-23)25-12-15-32-16-13-25/h4-13,15-16,22,27,29-30,35H,14,17-21H2,1-3H3,(H,33,36)/t27-,29-,30+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092967 (1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...) Show SMILES CCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O4S/c1-4-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)35(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484736 (CHEMBL1957070) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1cccc(O)c1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C32H40N2O8S/c1-22(2)19-34(43(38,39)29-13-11-27(40-3)12-14-29)20-31(36)30(33-32(37)42-28-15-16-41-21-28)17-23-7-9-24(10-8-23)25-5-4-6-26(35)18-25/h4-14,18,22,28,30-31,35-36H,15-17,19-21H2,1-3H3,(H,33,37)/t28-,30-,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484747 (CHEMBL1957067) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C33H39F3N2O8S/c1-22(2)19-38(47(41,42)29-14-12-26(43-3)13-15-29)20-31(39)30(37-32(40)45-28-16-17-44-21-28)18-23-4-6-24(7-5-23)25-8-10-27(11-9-25)46-33(34,35)36/h4-15,22,28,30-31,39H,16-21H2,1-3H3,(H,37,40)/t28-,30-,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484734 (CHEMBL1957063) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccc(F)cc1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C32H39FN2O7S/c1-22(2)19-35(43(38,39)29-14-12-27(40-3)13-15-29)20-31(36)30(34-32(37)42-28-16-17-41-21-28)18-23-4-6-24(7-5-23)25-8-10-26(33)11-9-25/h4-15,22,28,30-31,36H,16-21H2,1-3H3,(H,34,37)/t28-,30-,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484742 (CHEMBL1957065) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(C)=O)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C34H42N2O8S/c1-23(2)20-36(45(40,41)31-15-13-29(42-4)14-16-31)21-33(38)32(35-34(39)44-30-17-18-43-22-30)19-25-5-7-27(8-6-25)28-11-9-26(10-12-28)24(3)37/h5-16,23,30,32-33,38H,17-22H2,1-4H3,(H,35,39)/t30-,32-,33+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484744 (CHEMBL1957064) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccc(Cl)cc1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C32H39ClN2O7S/c1-22(2)19-35(43(38,39)29-14-12-27(40-3)13-15-29)20-31(36)30(34-32(37)42-28-16-17-41-21-28)18-23-4-6-24(7-5-23)25-8-10-26(33)11-9-25/h4-15,22,28,30-31,36H,16-21H2,1-3H3,(H,34,37)/t28-,30-,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092959 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484741 (CHEMBL1957066) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1ccc(SC)cc1)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C33H42N2O7S2/c1-23(2)20-35(44(38,39)30-15-11-27(40-3)12-16-30)21-32(36)31(34-33(37)42-28-17-18-41-22-28)19-24-5-7-25(8-6-24)26-9-13-29(43-4)14-10-26/h5-16,23,28,31-32,36H,17-22H2,1-4H3,(H,34,37)/t28-,31-,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484738 (CHEMBL1957072) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(cc1)-c1cccc(c1)C#N)NC(=O)O[C@H]1CCOC1 |r| Show InChI InChI=1S/C33H39N3O7S/c1-23(2)20-36(44(39,40)30-13-11-28(41-3)12-14-30)21-32(37)31(35-33(38)43-29-15-16-42-22-29)18-24-7-9-26(10-8-24)27-6-4-5-25(17-27)19-34/h4-14,17,23,29,31-32,37H,15-16,18,20-22H2,1-3H3,(H,35,38)/t29-,31-,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis				Bioorg Med Chem Lett 22: 1976-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.037 BindingDB Entry DOI: 10.7270/Q2V69ND3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092957 (4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)-1-(...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1 Show InChI InChI=1S/C25H32N2O3S/c1-19(21-13-17-27(18-14-21)22-11-15-26-16-12-22)20-3-7-24(8-4-20)31(28,29)25-9-5-23(30-2)6-10-25/h3-10,21-22,26H,1,11-18H2,2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092968 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C30H40N2O5S/c1-4-5-22-37-30(33)32-20-16-26(17-21-32)31-18-14-25(15-19-31)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092962 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCC(C)C Show InChI InChI=1S/C30H40N2O5S/c1-22(2)21-37-30(33)32-19-15-26(16-20-32)31-17-13-25(14-18-31)23(3)24-5-9-28(10-6-24)38(34,35)29-11-7-27(36-4)8-12-29/h5-12,22,25-26H,3,13-21H2,1-2,4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092963 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C33H38N2O5S/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)40-24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092973 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OC(C)C Show InChI InChI=1S/C29H38N2O5S/c1-21(2)36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092958 (4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)p...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H38N2O5S2/c1-4-21-36(31,32)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092961 (1-(isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenyls...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)C(C)C Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)37(33,34)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(3)23-5-9-27(10-6-23)36(31,32)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092966 (1-(benzylsulfonyl)-4-(4-(1-(4-(4-methoxyphenylsulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C32H38N2O5S2/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-33(21-17-28)29-18-22-34(23-19-29)40(35,36)24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092974 (1'-Benzenesulfonyl-4-{1-[4-(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H36N2O5S2/c1-24(25-8-12-29(13-9-25)39(34,35)30-14-10-28(38-2)11-15-30)26-16-20-32(21-17-26)27-18-22-33(23-19-27)40(36,37)31-6-4-3-5-7-31/h3-15,26-27H,1,16-23H2,2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092972 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES CCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H38N2O5S/c1-4-21-36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092965 (1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...) Show SMILES CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H38N2O4S/c1-4-5-29(32)31-20-16-25(17-21-31)30-18-14-24(15-19-30)22(2)23-6-10-27(11-7-23)36(33,34)28-12-8-26(35-3)9-13-28/h6-13,24-25H,2,4-5,14-21H2,1,3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092960 (1'-(Butane-1-sulfonyl)-4-{1-[4-(4-methoxy-benzenes...) Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H40N2O5S2/c1-4-5-22-37(32,33)31-20-16-26(17-21-31)30-18-14-25(15-19-30)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092964 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C27H34N2O5S/c1-20(22-12-16-28(17-13-22)23-14-18-29(19-15-23)27(30)34-3)21-4-8-25(9-5-21)35(31,32)26-10-6-24(33-2)7-11-26/h4-11,22-23H,1,12-19H2,2-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem Lett 17: 2260-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.058 BindingDB Entry DOI: 10.7270/Q2668H0S
					More data for this Ligand-Target Pair

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