Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'pecic' and Initial = 's'   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Prazosin from human adrenergic alpha1A receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]GR127543 from human 5HT1D receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT7 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]GR127543 from human 5HT1B receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Clonidine from human adrenergic Alpha-2C receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Clonidine from human adrenergic alpha2B receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D4 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Binding affinity to human adrenergic Alpha-1D receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	543	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT2B receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	672	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Tiotidine from human histamine H2 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human 5HT2A receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	858	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	895	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]SCH233930 from human dopamine D1 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5HT2C receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Prazosin from human adrenergic Alpha-1B receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Clonidine from human adrenergic alpha2A receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT5A receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]SCH233930 from human dopamine D5 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/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	7.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	8.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [125I]Iodopindolol from human adrenergic beta-1 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human DOR				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]QNB from human muscarinic M4 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]QNB from human muscarinic M3 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]QNB from human muscarinic M2 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]QNB from human muscarinic M1 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Histamine from human histamine H4 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]alpha-methylhistamine from human histamine H3 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human histamine H1 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [125I]Iodopindolol from human adrenergic beta2 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [125I]Iodopindolol from human adrenergic beta3 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT1E receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]LY278584 from human 5HT3 receptor				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50160160 ((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...) Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hunter College and the Graduate Center of the City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOR				Bioorg Med Chem Lett 20: 628-31 (2010) Article DOI: 10.1016/j.bmcl.2009.11.053 BindingDB Entry DOI: 10.7270/Q2C53MT3
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50424629 (CHEMBL2313193) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C20H24N2O4S/c1-14-3-8-19(15(2)13-14)27(25,26)22-11-9-16(10-12-22)20(24)21-17-4-6-18(23)7-5-17/h3-8,13,16,23H,9-12H2,1-2H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human sEH assessed as 6-methoxy-2-naphthaldehyde generation preincubated for 10 before addition of cyano(2-methyl-oxynaphthalen-6-yl)me...				Bioorg Med Chem Lett 23: 417-21 (2012) Article DOI: 10.1016/j.bmcl.2012.11.084 BindingDB Entry DOI: 10.7270/Q2Z60QBJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50424594 (CHEMBL2313183) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2cc(ccc2c1)C(O)=O Show InChI InChI=1S/C25H26N2O5S/c1-16-3-8-23(17(2)13-16)33(31,32)27-11-9-18(10-12-27)24(28)26-22-7-6-19-14-21(25(29)30)5-4-20(19)15-22/h3-8,13-15,18H,9-12H2,1-2H3,(H,26,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human sEH assessed as 6-methoxy-2-naphthaldehyde generation preincubated for 10 before addition of cyano(2-methyl-oxynaphthalen-6-yl)me...				Bioorg Med Chem Lett 23: 417-21 (2012) Article DOI: 10.1016/j.bmcl.2012.11.084 BindingDB Entry DOI: 10.7270/Q2Z60QBJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50424631 (CHEMBL2313191) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1Br Show InChI InChI=1S/C20H23BrN2O3S/c1-14-7-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)20(24)22-18-6-4-3-5-17(18)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human sEH assessed as 6-methoxy-2-naphthaldehyde generation preincubated for 10 before addition of cyano(2-methyl-oxynaphthalen-6-yl)me...				Bioorg Med Chem Lett 23: 417-21 (2012) Article DOI: 10.1016/j.bmcl.2012.11.084 BindingDB Entry DOI: 10.7270/Q2Z60QBJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 | US9029401, 1471 (t-AUCB) | trans-4-...) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(19.63,-26.42,;18.81,-25.12,;19.53,-23.76,;17.27,-25.17,;16.54,-26.54,;15.01,-26.59,;14.19,-25.28,;12.65,-25.34,;11.93,-26.7,;12.75,-28.01,;12.03,-29.36,;10.48,-29.42,;9.67,-28.12,;10.39,-26.76,;9.77,-30.78,;8.23,-30.84,;7.41,-29.54,;7.51,-32.21,;5.97,-32.27,;4.96,-33.54,;3.55,-32.98,;2.06,-33.4,;3.25,-32.13,;3.24,-30.64,;4.59,-30.16,;3.55,-31.39,;5.99,-30.74,;4.58,-32.61,;14.91,-23.93,;16.44,-23.87,)| Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15?,16?,17?,19-,21-,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using cyano(6-methoxynaphthalen-2-yl)methyl((3-phenyloxiran-2-yl)methyl)carbonate as a substrate assessed as reduction in 6-m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116507 BindingDB Entry DOI: 10.7270/Q2CR5Z8P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50424632 (CHEMBL2313190) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1F Show InChI InChI=1S/C20H23FN2O3S/c1-14-7-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)20(24)22-18-6-4-3-5-17(18)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human sEH assessed as 6-methoxy-2-naphthaldehyde generation preincubated for 10 before addition of cyano(2-methyl-oxynaphthalen-6-yl)me...				Bioorg Med Chem Lett 23: 417-21 (2012) Article DOI: 10.1016/j.bmcl.2012.11.084 BindingDB Entry DOI: 10.7270/Q2Z60QBJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50191859 (1-adamantan-1-yl-3-[1-(2,2,2-trifluoro-acetyl)-pip...) Show SMILES FC(F)(F)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C18H26F3N3O2/c19-18(20,21)15(25)24-3-1-14(2-4-24)22-16(26)23-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50424630 (CHEMBL2313192) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1O Show InChI InChI=1S/C20H24N2O4S/c1-14-7-8-19(15(2)13-14)27(25,26)22-11-9-16(10-12-22)20(24)21-17-5-3-4-6-18(17)23/h3-8,13,16,23H,9-12H2,1-2H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human sEH assessed as 6-methoxy-2-naphthaldehyde generation preincubated for 10 before addition of cyano(2-methyl-oxynaphthalen-6-yl)me...				Bioorg Med Chem Lett 23: 417-21 (2012) Article DOI: 10.1016/j.bmcl.2012.11.084 BindingDB Entry DOI: 10.7270/Q2Z60QBJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50424601 (CHEMBL2313176) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C21H23F3N2O5S2/c1-14-3-8-19(15(2)13-14)33(30,31)26-11-9-16(10-12-26)20(27)25-17-4-6-18(7-5-17)32(28,29)21(22,23)24/h3-8,13,16H,9-12H2,1-2H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human sEH assessed as 6-methoxy-2-naphthaldehyde generation preincubated for 10 before addition of cyano(2-methyl-oxynaphthalen-6-yl)me...				Bioorg Med Chem Lett 23: 417-21 (2012) Article DOI: 10.1016/j.bmcl.2012.11.084 BindingDB Entry DOI: 10.7270/Q2Z60QBJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50360348 (CHEMBL1933651) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1 Show InChI InChI=1S/C21H32N2O3S/c1-16-9-10-20(17(2)15-16)27(25,26)23-13-11-18(12-14-23)21(24)22-19-7-5-3-4-6-8-19/h9-10,15,18-19H,3-8,11-14H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25732 (3-adamantan-1-yl-1-cyclohexylurea | CHEMBL242255 |...) Show SMILES O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19| Show InChI InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50424638 (CHEMBL2313189) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:29:20:27:23.24.25,19:20:27:23.24.25,THB:29:24:21.20.28:27,25:24:21:28.26.27,25:26:21:23.29.24| Show InChI InChI=1S/C24H34N2O3S/c1-16-3-4-22(17(2)9-16)30(28,29)26-7-5-21(6-8-26)23(27)25-24-13-18-10-19(14-24)12-20(11-18)15-24/h3-4,9,18-21H,5-8,10-15H2,1-2H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human sEH assessed as 6-methoxy-2-naphthaldehyde generation preincubated for 10 before addition of cyano(2-methyl-oxynaphthalen-6-yl)me...				Bioorg Med Chem Lett 23: 417-21 (2012) Article DOI: 10.1016/j.bmcl.2012.11.084 BindingDB Entry DOI: 10.7270/Q2Z60QBJ
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50587459 (CHEMBL5092295) Show SMILES Cc1ccc2sc(nc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FAAH using N-(6-methoxypyridin-3-yl)octanamide as a substrate assessed as reduction in 6-methoxypyridin-3-amine formation by fluo...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116507 BindingDB Entry DOI: 10.7270/Q2CR5Z8P
					More data for this Ligand-Target Pair

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