Compile Data Set for Download or QSAR

Found 1713 hits with Last Name = 'bach' and Initial = 'c'   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	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	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 622-8 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb14977.x BindingDB Entry DOI: 10.7270/Q2BR8QP0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50292914 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-22(32-28(35)20-13-18-3-1-2-4-21(18)31-15-20)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,22,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t22-,24-,27+,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50292918 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r| Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24-,27+,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50292916 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C30H31N3O4/c34-23-10-8-19-15-24-30(36)12-11-21(32-28(35)22-9-7-18-3-1-2-4-20(18)31-22)27-29(30,25(19)26(23)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,21,24,27,34,36H,5-6,11-16H2,(H,32,35)/t21-,24-,27+,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492288 (CHEMBL2397015) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H28N2O4/c30-19-9-8-18-14-21-27(28-25(32)17-4-2-1-3-5-17)11-10-20(31)24-26(27,22(18)23(19)33-24)12-13-29(21)15-16-6-7-16/h1-5,8-9,16,21,24,30H,6-7,10-15H2,(H,28,32)/t21-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50292915 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-22(32-28(35)20-13-18-3-1-2-4-21(18)31-15-20)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,22,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t22-,24+,27-,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492293 (CHEMBL2397018) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1cnc2ccccc2c1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H29N3O4/c34-22-8-7-19-14-24-30(32-28(36)20-13-18-3-1-2-4-21(18)31-15-20)10-9-23(35)27-29(30,25(19)26(22)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,24,27,34H,5-6,9-12,14,16H2,(H,32,36)/t24-,27+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50292922 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C26H29N3O4/c30-19-6-5-16-12-20-26(32)8-7-18(28-24(31)17-2-1-10-27-13-17)23-25(26,21(16)22(19)33-23)9-11-29(20)14-15-3-4-15/h1-2,5-6,10,13,15,18,20,23,30,32H,3-4,7-9,11-12,14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50266857 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccccn1 |r| Show InChI InChI=1S/C26H26N2O5/c29-18-7-6-16-13-20-26(33-24(31)17-3-1-2-11-27-17)9-8-19(30)23-25(26,21(16)22(18)32-23)10-12-28(20)14-15-4-5-15/h1-3,6-7,11,15,20,23,29H,4-5,8-10,12-14H2/t20-,23+,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494375 (CHEMBL3086756) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CNC(=O)c1ccccn1)ccc3O |r,THB:11:10:18:5.6.7| Show InChI InChI=1S/C28H30N4O5.ClH/c33-19-7-6-17-13-21-28(31-22(35)14-30-26(36)18-3-1-2-11-29-18)9-8-20(34)25-27(28,23(17)24(19)37-25)10-12-32(21)15-16-4-5-16;/h1-3,6-7,11,16,21,25,33H,4-5,8-10,12-15H2,(H,30,36)(H,31,35);1H/t21-,25+,27+,28-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50266857 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccccn1 |r| Show InChI InChI=1S/C26H26N2O5/c29-18-7-6-16-13-20-26(33-24(31)17-3-1-2-11-27-17)9-8-19(30)23-25(26,21(16)22(18)32-23)10-12-28(20)14-15-4-5-15/h1-3,6-7,11,15,20,23,29H,4-5,8-10,12-14H2/t20-,23+,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 1825-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.093 BindingDB Entry DOI: 10.7270/Q2GX4CH2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50292923 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C26H29N3O4/c30-19-6-5-16-12-20-26(32)8-7-18(28-24(31)17-2-1-10-27-13-17)23-25(26,21(16)22(19)33-23)9-11-29(20)14-15-3-4-15/h1-2,5-6,10,13,15,18,20,23,30,32H,3-4,7-9,11-12,14H2,(H,28,31)/t18-,20+,23-,25-,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492292 (CHEMBL2397021) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1cccnc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C26H27N3O4/c30-18-6-5-16-12-20-26(28-24(32)17-2-1-10-27-13-17)8-7-19(31)23-25(26,21(16)22(18)33-23)9-11-29(20)14-15-3-4-15/h1-2,5-6,10,13,15,20,23,30H,3-4,7-9,11-12,14H2,(H,28,32)/t20-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494377 (CHEMBL3086755) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CCc1ccccn1)ccc3O |r,THB:11:10:18:5.6.7| Show InChI InChI=1S/C28H31N3O4.ClH/c32-20-8-6-18-15-22-28(30-23(34)9-7-19-3-1-2-13-29-19)11-10-21(33)26-27(28,24(18)25(20)35-26)12-14-31(22)16-17-4-5-17;/h1-3,6,8,13,17,22,26,32H,4-5,7,9-12,14-16H2,(H,30,34);1H/t22-,26+,27+,28-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494376 (CHEMBL3086754) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)Cc1ccccn1)ccc3O |r,THB:11:10:18:5.6.7| Show InChI InChI=1S/C27H29N3O4.ClH/c31-19-7-6-17-13-21-27(29-22(33)14-18-3-1-2-11-28-18)9-8-20(32)25-26(27,23(17)24(19)34-25)10-12-30(21)15-16-4-5-16;/h1-3,6-7,11,16,21,25,31H,4-5,8-10,12-15H2,(H,29,33);1H/t21-,25+,26+,27-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50292917 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C30H31N3O4/c34-23-10-8-19-15-24-30(36)12-11-21(32-28(35)22-9-7-18-3-1-2-4-20(18)31-22)27-29(30,25(19)26(23)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,21,24,27,34,36H,5-6,11-16H2,(H,32,35)/t21-,24+,27-,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50006828 (2-(2-{[1-(3-{2-[2-(2-Amino-3-hydroxy-propionylamin...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C40H66N8O10/c1-8-24(6)34(39(56)46-33(23(4)5)40(57)58-7)47-38(55)30-15-12-16-48(30)20-31(50)27(18-25-13-10-9-11-14-25)43-37(54)29(19-32(42)51)45-36(53)28(17-22(2)3)44-35(52)26(41)21-49/h9-11,13-14,22-24,26-31,33-34,49-50H,8,12,15-21,41H2,1-7H3,(H2,42,51)(H,43,54)(H,44,52)(H,45,53)(H,46,56)(H,47,55)/t24-,26-,27+,28-,29-,30+,31+,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of HIV-Protease, using a peptide hydrolysis assay				J Med Chem 35: 2525-33 (1992) BindingDB Entry DOI: 10.7270/Q2PC31C3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 622-8 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb14977.x BindingDB Entry DOI: 10.7270/Q2BR8QP0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 1825-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.093 BindingDB Entry DOI: 10.7270/Q2GX4CH2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492287 (CHEMBL2397017) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1ccc2ccccc2n1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H29N3O4/c34-22-10-8-19-15-24-30(32-28(36)21-9-7-18-3-1-2-4-20(18)31-21)12-11-23(35)27-29(30,25(19)26(22)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,24,27,34H,5-6,11-16H2,(H,32,36)/t24-,27+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492291 (CHEMBL2397016) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C30H29N3O4/c34-22-8-7-19-14-24-30(32-28(36)21-13-18-3-1-2-4-20(18)15-31-21)10-9-23(35)27-29(30,25(19)26(22)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,24,27,34H,5-6,9-12,14,16H2,(H,32,36)/t24-,27+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494376 (CHEMBL3086754) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)Cc1ccccn1)ccc3O |r,THB:11:10:18:5.6.7| Show InChI InChI=1S/C27H29N3O4.ClH/c31-19-7-6-17-13-21-27(29-22(33)14-18-3-1-2-11-28-18)9-8-20(32)25-26(27,23(17)24(19)34-25)10-12-30(21)15-16-4-5-16;/h1-3,6-7,11,16,21,25,31H,4-5,8-10,12-15H2,(H,29,33);1H/t21-,25+,26+,27-;/m1./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494375 (CHEMBL3086756) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CNC(=O)c1ccccn1)ccc3O |r,THB:11:10:18:5.6.7| Show InChI InChI=1S/C28H30N4O5.ClH/c33-19-7-6-17-13-21-28(31-22(35)14-30-26(36)18-3-1-2-11-29-18)9-8-20(34)25-27(28,23(17)24(19)37-25)10-12-32(21)15-16-4-5-16;/h1-3,6-7,11,16,21,25,33H,4-5,8-10,12-15H2,(H,30,36)(H,31,35);1H/t21-,25+,27+,28-;/m1./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 622-8 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb14977.x BindingDB Entry DOI: 10.7270/Q2BR8QP0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 622-8 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb14977.x BindingDB Entry DOI: 10.7270/Q2BR8QP0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494377 (CHEMBL3086755) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CCc1ccccn1)ccc3O |r,THB:11:10:18:5.6.7| Show InChI InChI=1S/C28H31N3O4.ClH/c32-20-8-6-18-15-22-28(30-23(34)9-7-19-3-1-2-13-29-19)11-10-21(33)26-27(28,24(18)25(20)35-26)12-14-31(22)16-17-4-5-17;/h1-3,6,8,13,17,22,26,32H,4-5,7,9-12,14-16H2,(H,30,34);1H/t22-,26+,27+,28-;/m1./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492290 (CHEMBL2397022) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1ccncc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C26H27N3O4/c30-18-4-3-17-13-20-26(28-24(32)16-6-10-27-11-7-16)8-5-19(31)23-25(26,21(17)22(18)33-23)9-12-29(20)14-15-1-2-15/h3-4,6-7,10-11,15,20,23,30H,1-2,5,8-9,12-14H2,(H,28,32)/t20-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492286 (CHEMBL2397019) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1ccc2ccccc2c1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H30N2O4/c34-23-10-9-21-16-25-31(32-29(36)22-8-7-19-3-1-2-4-20(19)15-22)12-11-24(35)28-30(31,26(21)27(23)37-28)13-14-33(25)17-18-5-6-18/h1-4,7-10,15,18,25,28,34H,5-6,11-14,16-17H2,(H,32,36)/t25-,28+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492289 (CHEMBL2397020) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1ccccn1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C26H27N3O4/c30-18-7-6-16-13-20-26(28-24(32)17-3-1-2-11-27-17)9-8-19(31)23-25(26,21(16)22(18)33-23)10-12-29(20)14-15-4-5-15/h1-3,6-7,11,15,20,23,30H,4-5,8-10,12-14H2,(H,28,32)/t20-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50292920 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C26H29N3O4/c30-19-4-3-17-13-20-26(32)8-5-18(28-24(31)16-6-10-27-11-7-16)23-25(26,21(17)22(19)33-23)9-12-29(20)14-15-1-2-15/h3-4,6-7,10-11,15,18,20,23,30,32H,1-2,5,8-9,12-14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50494375 (CHEMBL3086756) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CNC(=O)c1ccccn1)ccc3O |r,THB:11:10:18:5.6.7| Show InChI InChI=1S/C28H30N4O5.ClH/c33-19-7-6-17-13-21-28(31-22(35)14-30-26(36)18-3-1-2-11-29-18)9-8-20(34)25-27(28,23(17)24(19)37-25)10-12-32(21)15-16-4-5-16;/h1-3,6-7,11,16,21,25,33H,4-5,8-10,12-15H2,(H,30,36)(H,31,35);1H/t21-,25+,27+,28-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NTI from delta opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP Ki Database									Br J Pharmacol 115: 622-8 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb14977.x BindingDB Entry DOI: 10.7270/Q2BR8QP0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50005688 (CHEMBL3085518 | N*1*-[1-Benzyl-3-(2-tert-butylcarb...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12 Show InChI InChI=1S/C35H43N5O7/c1-35(2,3)39-33(45)27-16-10-18-40(27)34(46)31(43)25(19-22-11-5-4-6-12-22)38-32(44)26(20-29(36)41)37-30(42)21-47-28-17-9-14-23-13-7-8-15-24(23)28/h4-9,11-15,17,25-27,31,43H,10,16,18-21H2,1-3H3,(H2,36,41)(H,37,42)(H,38,44)(H,39,45)/t25-,26-,27-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Canada Curated by ChEMBL					Assay Description Binding affinity against HIV Protease enzyme.(by Dixon analysis)				J Med Chem 35: 1318-20 (1992) BindingDB Entry DOI: 10.7270/Q2W959T5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316673 (5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-22-18-20-4-2-10-30-27(20)26(19-22)34-16-14-32(15-17-34)21-8-12-33(13-9-21)25-7-6-24(29)23-5-3-11-31-28(23)25/h2-7,10-11,18-19,21H,8-9,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316677 (6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H31N5O/c1-34-24-19-22-7-4-12-30-28(22)26(20-24)33-17-15-31(16-18-33)23-9-13-32(14-10-23)25-8-2-5-21-6-3-11-29-27(21)25/h2-8,11-12,19-20,23H,9-10,13-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50247803 (Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...) Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 1825-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.093 BindingDB Entry DOI: 10.7270/Q2GX4CH2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316680 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(C)cnc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-17-22-5-3-7-26(28(22)31-20-21)33-11-8-24(9-12-33)32-13-15-34(16-14-32)27-19-25(35-2)18-23-6-4-10-30-29(23)27/h3-7,10,17-20,24H,8-9,11-16H2,1-2H3	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316684 (3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piper...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(F)cnc23)c2ncccc2c1 Show InChI InChI=1S/C28H29F2N5O/c1-36-22-15-19-3-2-8-31-27(19)26(17-22)35-13-11-33(12-14-35)21-6-9-34(10-7-21)25-5-4-24(30)23-16-20(29)18-32-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50292921 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C26H29N3O4/c30-19-4-3-17-13-20-26(32)8-5-18(28-24(31)16-6-10-27-11-7-16)23-25(26,21(17)22(19)33-23)9-12-29(20)14-15-1-2-15/h3-4,6-7,10-11,15,18,20,23,30,32H,1-2,5,8-9,12-14H2,(H,28,31)/t18-,20+,23-,25-,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316688 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(C)nc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-8-9-22-5-3-7-26(29(22)31-21)33-13-10-24(11-14-33)32-15-17-34(18-16-32)27-20-25(35-2)19-23-6-4-12-30-28(23)27/h3-9,12,19-20,24H,10-11,13-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50292919 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r| Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24+,27-,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50292914 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-22(32-28(35)20-13-18-3-1-2-4-21(18)31-15-20)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,22,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t22-,24-,27+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells				J Med Chem 52: 1416-27 (2010) Article DOI: 10.1021/jm801272c BindingDB Entry DOI: 10.7270/Q2416XZ6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316682 (6-Bromo-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(Br)cc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30BrN5O/c1-35-24-17-21-5-3-9-31-28(21)26(19-24)34-14-12-32(13-15-34)23-6-10-33(11-7-23)25-18-22(29)16-20-4-2-8-30-27(20)25/h2-5,8-9,16-19,23H,6-7,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316690 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)ccnc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-8-12-31-29-25(21)6-3-7-26(29)33-13-9-23(10-14-33)32-15-17-34(18-16-32)27-20-24(35-2)19-22-5-4-11-30-28(22)27/h3-8,11-12,19-20,23H,9-10,13-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316678 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)cc(C)nc23)c2ncccc2c1 Show InChI InChI=1S/C30H35N5O/c1-21-18-22(2)32-30-26(21)7-4-8-27(30)34-12-9-24(10-13-34)33-14-16-35(17-15-33)28-20-25(36-3)19-23-6-5-11-31-29(23)28/h4-8,11,18-20,24H,9-10,12-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492292 (CHEMBL2397021) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)c1cccnc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C26H27N3O4/c30-18-6-5-16-12-20-26(28-24(32)17-2-1-10-27-13-17)8-7-19(31)23-25(26,21(16)22(18)33-23)9-11-29(20)14-15-3-4-15/h1-2,5-6,10,13,15,20,23,30H,3-4,7-9,11-12,14H2,(H,28,32)/t20-,23+,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316679 (3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(F)cnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-24-17-21-5-3-9-30-28(21)26(18-24)34-14-12-32(13-15-34)23-7-10-33(11-8-23)25-6-2-4-20-16-22(29)19-31-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1713 total )  |  Next  |  Last  >>

Jump to: