Compile Data Set for Download or QSAR

Found 344 hits with Last Name = 'fernández' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50296336 ((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...) Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)| Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296336 ((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...) Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)| Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M3 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296331 ((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...) Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)| Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M3 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50296331 ((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...) Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)| Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50296329 ((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...) Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)| Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50296329 ((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...) Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)| Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296329 ((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...) Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)| Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M3 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50296331 ((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...) Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)| Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50296336 ((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...) Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)| Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M3 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50378083 (Atrovent HFA | IPRATROPIUM BROMIDE) Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:10.11.9:6.7,THB:12:10:3:6.7,1:3:10.11.9:6.7,(8.93,-5.03,;7.4,-5.04,;6.62,-3.72,;6.64,-6.39,;5.29,-5.61,;6.91,-7.92,;5.92,-9.27,;7.1,-8.56,;7.69,-7.22,;9.45,-7.19,;9.72,-8.74,;8.74,-7.92,;9.71,-10.27,;11.04,-11.06,;11.03,-12.6,;12.38,-10.29,;13.71,-11.07,;15.04,-10.31,;12.39,-8.75,;13.74,-8,;13.74,-6.46,;12.41,-5.67,;11.07,-6.44,;11.06,-7.98,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M3 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50378083 (Atrovent HFA | IPRATROPIUM BROMIDE) Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:10.11.9:6.7,THB:12:10:3:6.7,1:3:10.11.9:6.7,(8.93,-5.03,;7.4,-5.04,;6.62,-3.72,;6.64,-6.39,;5.29,-5.61,;6.91,-7.92,;5.92,-9.27,;7.1,-8.56,;7.69,-7.22,;9.45,-7.19,;9.72,-8.74,;8.74,-7.92,;9.71,-10.27,;11.04,-11.06,;11.03,-12.6,;12.38,-10.29,;13.71,-11.07,;15.04,-10.31,;12.39,-8.75,;13.74,-8,;13.74,-6.46,;12.41,-5.67,;11.07,-6.44,;11.06,-7.98,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50378083 (Atrovent HFA | IPRATROPIUM BROMIDE) Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:10.11.9:6.7,THB:12:10:3:6.7,1:3:10.11.9:6.7,(8.93,-5.03,;7.4,-5.04,;6.62,-3.72,;6.64,-6.39,;5.29,-5.61,;6.91,-7.92,;5.92,-9.27,;7.1,-8.56,;7.69,-7.22,;9.45,-7.19,;9.72,-8.74,;8.74,-7.92,;9.71,-10.27,;11.04,-11.06,;11.03,-12.6,;12.38,-10.29,;13.71,-11.07,;15.04,-10.31,;12.39,-8.75,;13.74,-8,;13.74,-6.46,;12.41,-5.67,;11.07,-6.44,;11.06,-7.98,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	1.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				J Med Chem 52: 5076-92 (2010) Article DOI: 10.1021/jm900132z BindingDB Entry DOI: 10.7270/Q2SX6F5Z
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of bovine carboxypeptidase A1				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296411 (1-(4-chlorophenyl)-2-(5-(2-hydroxyphenyl)-1,3,4-ox...) Show SMILES Oc1ccccc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 Show InChI InChI=1S/C16H11ClN2O3S/c17-11-7-5-10(6-8-11)14(21)9-23-16-19-18-15(22-16)12-3-1-2-4-13(12)20/h1-8,20H,9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50270378 (CHEMBL516131 | trans-1,1,3,3-tetraisopropyl-2-(3-(...) Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(cc1)[N+]([O-])=O)[Si](C)(C)C |r| Show InChI InChI=1S/C23H42N3O3PSSi/c1-16(2)24(17(3)4)30(31,25(18(5)6)19(7)8)23(32(9,10)11)22(29-23)20-12-14-21(15-13-20)26(27)28/h12-19,22H,1-11H3/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human carboxypeptidase B				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296412 (CHEMBL560871 | DL-guanidinoethylmercaptosuccinic a...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#16]-[#6](-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O Show InChI InChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296414 (CHEMBL552336 | N-(3-chlorophenyl)-4-((5-(3-methoxy...) Show SMILES COc1cccc(CSc2nnc(Cc3csc(Nc4cccc(Cl)c4)n3)o2)c1 Show InChI InChI=1S/C20H17ClN4O2S2/c1-26-17-7-2-4-13(8-17)11-29-20-25-24-18(27-20)10-16-12-28-19(23-16)22-15-6-3-5-14(21)9-15/h2-9,12H,10-11H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296413 (CHEMBL551268 | N-benzyl-N-(4-phenylthiazol-2-yl)cy...) Show SMILES O=C(C1CC1)N(Cc1ccccc1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C20H18N2OS/c23-19(17-11-12-17)22(13-15-7-3-1-4-8-15)20-21-18(14-24-20)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296415 (4-(5-(2-chlorobenzylthio)-1,3,4-oxadiazol-2-yl)-N-...) Show SMILES Clc1ccccc1CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1 Show InChI InChI=1S/C20H16ClN3O3S3/c21-18-6-2-1-4-15(18)13-29-20-24-23-19(27-20)14-7-9-17(10-8-14)30(25,26)22-12-16-5-3-11-28-16/h1-11,22H,12-13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50296411 (1-(4-chlorophenyl)-2-(5-(2-hydroxyphenyl)-1,3,4-ox...) Show SMILES Oc1ccccc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 Show InChI InChI=1S/C16H11ClN2O3S/c17-11-7-5-10(6-8-11)14(21)9-23-16-19-18-15(22-16)12-3-1-2-4-13(12)20/h1-8,20H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of bovine carboxypeptidase A1				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50270380 (CHEMBL515968 | trans-1,1,3,3-tetraisopropyl-2-((2S...) Show SMILES COc1ccc(cc1)[C@@H]1O[C@@]1([Si](C)(C)C)P(=S)(N(C(C)C)C(C)C)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C24H45N2O2PSSi/c1-17(2)25(18(3)4)29(30,26(19(5)6)20(7)8)24(31(10,11)12)23(28-24)21-13-15-22(27-9)16-14-21/h13-20,23H,1-12H3/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human carboxypeptidase B				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296414 (CHEMBL552336 | N-(3-chlorophenyl)-4-((5-(3-methoxy...) Show SMILES COc1cccc(CSc2nnc(Cc3csc(Nc4cccc(Cl)c4)n3)o2)c1 Show InChI InChI=1S/C20H17ClN4O2S2/c1-26-17-7-2-4-13(8-17)11-29-20-25-24-18(27-20)10-16-12-28-19(23-16)22-15-6-3-5-14(21)9-15/h2-9,12H,10-11H2,1H3,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50270379 (CHEMBL515809 | trans-1,1,3,3-tetraisopropyl-2-((2S...) Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(cc1)C(F)(F)F)[Si](C)(C)C |r| Show InChI InChI=1S/C24H42F3N2OPSSi/c1-16(2)28(17(3)4)31(32,29(18(5)6)19(7)8)24(33(9,10)11)22(30-24)20-12-14-21(15-13-20)23(25,26)27/h12-19,22H,1-11H3/t22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human carboxypeptidase B				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296413 (CHEMBL551268 | N-benzyl-N-(4-phenylthiazol-2-yl)cy...) Show SMILES O=C(C1CC1)N(Cc1ccccc1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C20H18N2OS/c23-19(17-11-12-17)22(13-15-7-3-1-4-8-15)20-21-18(14-24-20)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296416 (CHEMBL563744 | methyl 2-(4-benzyl-5-(2-hydroxyphen...) Show SMILES COC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1 Show InChI InChI=1S/C18H17N3O3S/c1-24-16(23)12-25-18-20-19-17(14-9-5-6-10-15(14)22)21(18)11-13-7-3-2-4-8-13/h2-10,22H,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50270386 (CHEMBL477076 | trans-(2RS,3RS)-3-(2-Thienyl)-2-tri...) Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1cccs1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2OPS2Si/c1-15(2)22(16(3)4)25(26,23(17(5)6)18(7)8)21(28(9,10)11)20(24-21)19-13-12-14-27-19/h12-18,20H,1-11H3/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human carboxypeptidase B				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296417 (CHEMBL561592 | isopropyl 2-(4-benzyl-5-(2-methoxyp...) Show SMILES COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1Cc1ccccc1 Show InChI InChI=1S/C21H23N3O3S/c1-15(2)27-19(25)14-28-21-23-22-20(17-11-7-8-12-18(17)26-3)24(21)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296411 (1-(4-chlorophenyl)-2-(5-(2-hydroxyphenyl)-1,3,4-ox...) Show SMILES Oc1ccccc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 Show InChI InChI=1S/C16H11ClN2O3S/c17-11-7-5-10(6-8-11)14(21)9-23-16-19-18-15(22-16)12-3-1-2-4-13(12)20/h1-8,20H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296418 (2-(6,9-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-y...) Show SMILES Cc1ccc(C)c2c3nnc(SCC(=O)c4ccc(F)cc4)nc3[nH]c12 Show InChI InChI=1S/C19H15FN4OS/c1-10-3-4-11(2)16-15(10)17-18(21-16)22-19(24-23-17)26-9-14(25)12-5-7-13(20)8-6-12/h3-8H,9H2,1-2H3,(H,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50270381 (CHEMBL478555 | trans-1,1,3,3-tetraisopropyl-2-((2S...) Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(C)cc1)[Si](C)(C)C |r| Show InChI InChI=1S/C24H45N2OPSSi/c1-17(2)25(18(3)4)28(29,26(19(5)6)20(7)8)24(30(10,11)12)23(27-24)22-15-13-21(9)14-16-22/h13-20,23H,1-12H3/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human carboxypeptidase B				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM39191 (2-[4-Furan-2-ylmethyl-5-(4-hydroxy-phenyl)-4H-[1,2...) Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)c2cccs2)n1Cc1ccco1 Show InChI InChI=1S/C19H15N3O3S2/c23-14-7-5-13(6-8-14)18-20-21-19(22(18)11-15-3-1-9-25-15)27-12-16(24)17-4-2-10-26-17/h1-10,23H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50270387 (CHEMBL518749 | trans-(2RS,3RS)-3-(3-Thienyl)-2-tri...) Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccsc1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2OPS2Si/c1-15(2)22(16(3)4)25(26,23(17(5)6)18(7)8)21(28(9,10)11)20(24-21)19-12-13-27-14-19/h12-18,20H,1-11H3/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human carboxypeptidase B				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50270385 (CHEMBL477075 | trans-(2RS,3RS)-3-(4-Pyridyl)-2-tri...) Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccncc1)[Si](C)(C)C |r| Show InChI InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-12-14-23-15-13-20/h12-19,21H,1-11H3/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human carboxypeptidase B				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296420 (CHEMBL558714 | ethyl 2-(4-ethyl-5-((4-ethylphenoxy...) Show SMILES CCOC(=O)C(Sc1nnc(COc2ccc(CC)cc2)n1CC)C(C)C Show InChI InChI=1S/C20H29N3O3S/c1-6-15-9-11-16(12-10-15)26-13-17-21-22-20(23(17)7-2)27-18(14(4)5)19(24)25-8-3/h9-12,14,18H,6-8,13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296421 (2-(4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-y...) Show SMILES NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 Show InChI InChI=1S/C15H14N4OS2/c16-13(20)10-22-15-18-17-14(12-7-4-8-21-12)19(15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,16,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296422 (2-(5-((4-chlorophenoxy)methyl)-1,3,4-oxadiazol-2-y...) Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C18H15ClN2O3S/c1-12-2-4-13(5-3-12)16(22)11-25-18-21-20-17(24-18)10-23-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296420 (CHEMBL558714 | ethyl 2-(4-ethyl-5-((4-ethylphenoxy...) Show SMILES CCOC(=O)C(Sc1nnc(COc2ccc(CC)cc2)n1CC)C(C)C Show InChI InChI=1S/C20H29N3O3S/c1-6-15-9-11-16(12-10-15)26-13-17-21-22-20(23(17)7-2)27-18(14(4)5)19(24)25-8-3/h9-12,14,18H,6-8,13H2,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296422 (2-(5-((4-chlorophenoxy)methyl)-1,3,4-oxadiazol-2-y...) Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C18H15ClN2O3S/c1-12-2-4-13(5-3-12)16(22)11-25-18-21-20-17(24-18)10-23-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296423 (CHEMBL551672 | N-(2-chlorobenzyl)-N-(furan-2-ylmet...) Show SMILES Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N(Cc1ccco1)Cc1ccccc1Cl Show InChI InChI=1S/C20H18ClN5O3S/c1-15-11-18(8-9-20(15)26-14-22-23-24-26)30(27,28)25(13-17-6-4-10-29-17)12-16-5-2-3-7-19(16)21/h2-11,14H,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296424 (1-(2-fluorophenyl)-2-(5-o-tolyl-1,3,4-oxadiazol-2-...) Show SMILES Cc1ccccc1-c1nnc(SCC(=O)c2ccccc2F)o1 Show InChI InChI=1S/C17H13FN2O2S/c1-11-6-2-3-7-12(11)16-19-20-17(22-16)23-10-15(21)13-8-4-5-9-14(13)18/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296418 (2-(6,9-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-y...) Show SMILES Cc1ccc(C)c2c3nnc(SCC(=O)c4ccc(F)cc4)nc3[nH]c12 Show InChI InChI=1S/C19H15FN4OS/c1-10-3-4-11(2)16-15(10)17-18(21-16)22-19(24-23-17)26-9-14(25)12-5-7-13(20)8-6-12/h3-8H,9H2,1-2H3,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50270383 (CHEMBL477074 | trans-(2RS,3RS)-3-(2-Pyridyl)-2-tri...) Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccccn1)[Si](C)(C)C |r| Show InChI InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-14-12-13-15-23-20/h12-19,21H,1-11H3/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human carboxypeptidase B				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50296423 (CHEMBL551672 | N-(2-chlorobenzyl)-N-(furan-2-ylmet...) Show SMILES Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N(Cc1ccco1)Cc1ccccc1Cl Show InChI InChI=1S/C20H18ClN5O3S/c1-15-11-18(8-9-20(15)26-14-22-23-24-26)30(27,28)25(13-17-6-4-10-29-17)12-16-5-2-3-7-19(16)21/h2-11,14H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50270384 (CHEMBL515948 | trans-(2RS,3RS)-3-(3-Pyridyl)-2-tri...) Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1cccnc1)[Si](C)(C)C |r| Show InChI InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-13-12-14-23-15-20/h12-19,21H,1-11H3/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human carboxypeptidase B				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50270392 (CHEMBL477269 | trans-(2RS,3RS)-3-(3-Furyl)-2-trime...) Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccoc1)[Si](C)(C)C |r| Show InChI InChI=1S/C21H41N2O2PSSi/c1-15(2)22(16(3)4)26(27,23(17(5)6)18(7)8)21(28(9,10)11)20(25-21)19-12-13-24-14-19/h12-18,20H,1-11H3/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Autònoma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human carboxypeptidase B				Bioorg Med Chem 16: 4823-8 (2008) Article DOI: 10.1016/j.bmc.2008.03.047 BindingDB Entry DOI: 10.7270/Q2CV4HJJ
					More data for this Ligand-Target Pair

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