Compile Data Set for Download or QSAR

Found 70 hits Enz. Inhib. hit(s) with all data for entry = 50041673   

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))	BDBM50412984 (CHEMBL458002) Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412984 (CHEMBL458002) Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412987 (CHEMBL475965) Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412988 (CHEMBL477008) Show SMILES Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412983 (CHEMBL458001) Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1 Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50412984 (CHEMBL458002) Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412985 (CHEMBL458220) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412983 (CHEMBL458001) Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1 Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50412988 (CHEMBL477008) Show SMILES Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50412985 (CHEMBL458220) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50412983 (CHEMBL458001) Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1 Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412985 (CHEMBL458220) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50412983 (CHEMBL458001) Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1 Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT1D receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50412985 (CHEMBL458220) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT1D receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50412983 (CHEMBL458001) Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1 Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in human HeLa cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50412983 (CHEMBL458001) Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1 Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT1B receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50412984 (CHEMBL458002) Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from adrenergic Alpha-1B receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50412985 (CHEMBL458220) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT1B receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50412983 (CHEMBL458001) Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1 Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from adrenergic Alpha-1B receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50412984 (CHEMBL458002) Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT1D receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50412984 (CHEMBL458002) Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT1B receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50412984 (CHEMBL458002) Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from dopamine D3 receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50412983 (CHEMBL458001) Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1 Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from dopamine D3 receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50412984 (CHEMBL458002) Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in human HeLa cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50412987 (CHEMBL475965) Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50412985 (CHEMBL458220) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from adrenergic Alpha-1B receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412989 (CHEMBL474473) Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C Show InChI InChI=1S/C29H29ClN6O3/c1-19-23(18-36-29(38)27(30)25(17-33-36)35-14-12-31-13-15-35)4-3-5-24(19)34-28(37)21-8-6-20(7-9-21)22-10-11-26(39-2)32-16-22/h3-11,16-17,31H,12-15,18H2,1-2H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50412989 (CHEMBL474473) Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C Show InChI InChI=1S/C29H29ClN6O3/c1-19-23(18-36-29(38)27(30)25(17-33-36)35-14-12-31-13-15-35)4-3-5-24(19)34-28(37)21-8-6-20(7-9-21)22-10-11-26(39-2)32-16-22/h3-11,16-17,31H,12-15,18H2,1-2H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50412983 (CHEMBL458001) Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1 Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from adrenergic beta2 receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50412984 (CHEMBL458002) Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from adrenergic beta2 receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412988 (CHEMBL477008) Show SMILES Cc1c(Cn2ncc(cc2=O)N2CCNCC2)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412989 (CHEMBL474473) Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C Show InChI InChI=1S/C29H29ClN6O3/c1-19-23(18-36-29(38)27(30)25(17-33-36)35-14-12-31-13-15-35)4-3-5-24(19)34-28(37)21-8-6-20(7-9-21)22-10-11-26(39-2)32-16-22/h3-11,16-17,31H,12-15,18H2,1-2H3,(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50412985 (CHEMBL458220) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT6 receptor expressed in human HeLa cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50412985 (CHEMBL458220) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from dopamine D3 receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50412986 (CHEMBL474474) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O Show InChI InChI=1S/C30H29ClN6O3/c1-19-24(18-37-30(40)27(31)26(17-34-37)36-14-12-33-13-15-36)6-3-7-25(19)35-29(39)21-10-8-20(9-11-21)22-4-2-5-23(16-22)28(32)38/h2-11,16-17,33H,12-15,18H2,1H3,(H2,32,38)(H,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412984 (CHEMBL458002) Show SMILES Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from dopamine D2 receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412985 (CHEMBL458220) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from dopamine D2 receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412983 (CHEMBL458001) Show SMILES Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1 Show InChI InChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from dopamine D2 receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412986 (CHEMBL474474) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O Show InChI InChI=1S/C30H29ClN6O3/c1-19-24(18-37-30(40)27(31)26(17-34-37)36-14-12-33-13-15-36)6-3-7-25(19)35-29(39)21-10-8-20(9-11-21)22-4-2-5-23(16-22)28(32)38/h2-11,16-17,33H,12-15,18H2,1H3,(H2,32,38)(H,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50412985 (CHEMBL458220) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from adrenergic beta2 receptor expressed in CHO cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412986 (CHEMBL474474) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O Show InChI InChI=1S/C30H29ClN6O3/c1-19-24(18-37-30(40)27(31)26(17-34-37)36-14-12-33-13-15-36)6-3-7-25(19)35-29(39)21-10-8-20(9-11-21)22-4-2-5-23(16-22)28(32)38/h2-11,16-17,33H,12-15,18H2,1H3,(H2,32,38)(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<7.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412987 (CHEMBL475965) Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50412991 (CHEMBL514267) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccccc1F Show InChI InChI=1S/C23H23ClFN5O2/c1-15-16(5-4-8-19(15)28-22(31)17-6-2-3-7-18(17)25)14-30-23(32)21(24)20(13-27-30)29-11-9-26-10-12-29/h2-8,13,26H,9-12,14H2,1H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50412992 (CHEMBL457788) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccnc1 Show InChI InChI=1S/C22H23ClN6O2/c1-15-17(4-2-6-18(15)27-21(30)16-5-3-7-25-12-16)14-29-22(31)20(23)19(13-26-29)28-10-8-24-9-11-28/h2-7,12-13,24H,8-11,14H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50412995 (CHEMBL477431) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C27H26ClN5O2S/c1-18-21(17-33-27(35)25(28)23(16-30-33)32-13-11-29-12-14-32)4-2-5-22(18)31-26(34)20-9-7-19(8-10-20)24-6-3-15-36-24/h2-10,15-16,29H,11-14,17H2,1H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	589	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50412996 (CHEMBL477432) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C27H26ClN5O2S/c1-18-21(16-33-27(35)25(28)24(15-30-33)32-12-10-29-11-13-32)3-2-4-23(18)31-26(34)20-7-5-19(6-8-20)22-9-14-36-17-22/h2-9,14-15,17,29H,10-13,16H2,1H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	145	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50412993 (CHEMBL457789) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H30ClN5O2/c1-21-24(20-36-30(38)28(31)26(19-33-36)35-17-15-32-16-18-35)13-8-14-25(21)34-29(37)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19,27,32H,15-18,20H2,1H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50412994 (CHEMBL517029) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCN(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C29H32ClN7O2/c1-20-23(19-37-29(39)27(30)26(18-33-37)36-15-11-32-12-16-36)3-2-4-25(20)34-28(38)22-9-13-35(14-10-22)24-7-5-21(17-31)6-8-24/h2-8,18,22,32H,9-16,19H2,1H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50412997 (CHEMBL477643) Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(c1)-c1cccs1 Show InChI InChI=1S/C27H26ClN5O2S/c1-18-21(17-33-27(35)25(28)23(16-30-33)32-12-10-29-11-13-32)7-3-8-22(18)31-26(34)20-6-2-5-19(15-20)24-9-4-14-36-24/h2-9,14-16,29H,10-13,17H2,1H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.13E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50413010 (BAM-3200 | CHEMBL506884) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:45.48,22.36,120.126,93.102,4.4,71.83,144.150,67.72,165.172,185.192,52.64,216.225,wD:8.20,136.142,156.163,174.181,82.94,36.45,101.114,205.213,(16.32,.88,;17.63,.05,;17.57,-1.49,;16.21,-2.2,;16.15,-3.74,;14.81,-4.51,;13.51,-3.68,;13.57,-2.14,;12.15,-4.39,;12.1,-5.93,;13.4,-6.75,;14.83,-6.17,;15.82,-7.36,;14.99,-8.66,;15.43,-10.15,;14.35,-11.26,;12.87,-10.88,;12.45,-9.4,;13.52,-8.29,;10.83,-3.6,;9.44,-4.27,;9.39,-5.8,;8.16,-3.45,;8.22,-1.91,;9.56,-1.19,;10.96,-1.87,;12.02,-.76,;11.29,.6,;11.83,2.05,;10.83,3.24,;9.31,2.96,;8.79,1.52,;9.78,.34,;6.82,-4.22,;5.52,-3.39,;5.58,-1.85,;4.15,-4.11,;4.1,-5.65,;5.41,-6.46,;5.35,-8,;4.02,-8.72,;6.65,-8.82,;2.85,-3.29,;1.47,-3.98,;1.41,-5.51,;.17,-3.16,;.3,-1.62,;-1.33,-1.21,;-2.2,-2.65,;-1.13,-3.93,;-1.39,-5.46,;-.19,-6.44,;-2.82,-6,;-4,-5.03,;-3.75,-3.51,;-4.96,-2.52,;-4.64,-1.02,;-5.83,-.04,;-7.24,-.61,;-5.53,1.44,;-3.03,-7.52,;-4.42,-8.18,;-5.7,-7.31,;-4.53,-9.7,;-5.89,-10.43,;-6.06,-11.96,;-4.78,-12.82,;-7.45,-12.64,;-7.49,-14.18,;-6.2,-15.03,;-4.84,-14.36,;-6.32,-16.57,;-7.64,-17.35,;-9,-16.62,;-10.32,-17.41,;-11.67,-16.67,;-12.98,-17.48,;-12.87,-19.05,;-14.26,-16.77,;-5.04,-17.42,;-5.07,-18.96,;-6.37,-19.76,;-3.7,-19.68,;-2.38,-18.86,;-2.44,-17.33,;-1.14,-16.52,;-1.11,-14.98,;.16,-14.11,;1.57,-14.88,;.16,-12.6,;-3.61,-21.22,;-2.26,-21.95,;-.95,-21.15,;-2.21,-23.5,;-3.53,-24.31,;-4.88,-23.57,;-6.19,-24.39,;-7.56,-23.65,;-.86,-24.23,;-.88,-25.77,;-2.18,-26.58,;.48,-26.5,;1.8,-25.69,;1.76,-24.15,;.39,-23.43,;.35,-21.89,;1.68,-21.08,;3.02,-21.82,;3.06,-23.34,;.54,-28.04,;1.96,-28.64,;3.18,-27.72,;2.13,-30.18,;3.55,-30.78,;3.68,-32.31,;2.46,-33.25,;5.11,-32.93,;5.32,-34.46,;6.74,-35.06,;7.97,-34.14,;6.91,-36.6,;8.42,-37.22,;5.67,-37.5,;4.28,-36.9,;4.08,-35.38,;2.68,-34.78,;1.45,-35.71,;.06,-35.13,;1.63,-37.24,;3.05,-37.83,;-8.74,-11.79,;-10.11,-12.46,;-8.62,-10.25,;17.45,-4.56,;17.39,-6.09,;18.83,-3.87,;20.14,-4.69,;20.08,-6.22,;21.38,-7.03,;22.77,-6.34,;21.33,-8.57,;21.5,-3.96,;21.55,-2.42,;22.79,-4.79,;24.13,-4.04,;24.17,-2.49,;25.54,-1.78,;25.59,-.24,;26.95,.49,;28.26,-.33,;29.65,.36,;28.21,-1.88,;26.85,-2.59,;25.43,-4.85,;25.37,-6.39,;26.81,-4.17,;28.11,-4.98,;28.05,-6.52,;29.36,-7.33,;29.3,-8.87,;27.98,-9.62,;30.6,-9.68,;29.47,-4.25,;29.53,-2.71,;30.77,-5.09,;32.11,-4.33,;32.17,-2.78,;33.52,-2.07,;33.58,-.53,;34.93,.19,;35.02,1.7,;33.4,-5.14,;33.36,-6.67,;34.78,-4.45,;36.09,-5.27,;36.03,-6.8,;37.34,-7.63,;37.28,-9.16,;38.58,-9.98,;38.51,-11.52,;37.18,-12.25,;39.84,-12.36,;37.45,-4.56,;37.51,-3.01,;38.76,-5.37,;40.11,-4.64,;40.17,-3.09,;41.52,-2.37,;42.83,-3.2,;44.2,-2.47,;44.25,-.92,;45.64,-.22,;42.95,-.11,;41.58,-.83,;41.41,-5.44,;41.36,-6.99,;42.78,-4.74,;44.1,-5.55,;45.46,-4.84,;45.51,-3.29,;46.76,-5.65,;48.12,-4.92,;49.41,-5.73,;49.36,-7.27,;50.78,-5.02,;52.09,-5.84,;52.03,-7.39,;53.35,-8.2,;54.71,-7.47,;56.02,-8.29,;55.96,-9.84,;54.6,-10.57,;53.29,-9.74,;53.46,-5.13,;53.51,-3.59,;54.77,-5.94,;56.14,-5.24,;56.19,-3.69,;57.55,-2.96,;57.6,-1.42,;58.84,-3.78,;57.43,-6.04,;58.79,-5.32,;57.37,-7.58,)| Show InChI InChI=1S/C147H207N41O34S2/c1-80(2)64-113(143(221)222)186-135(213)108(67-83-26-11-8-12-27-83)172-119(196)78-166-117(194)76-168-125(203)106(68-85-40-46-90(190)47-41-85)181-128(206)99(34-20-58-160-145(153)154)174-126(204)97(32-17-18-56-148)173-129(207)101(50-52-115(150)192)177-136(214)109(69-86-42-48-91(191)49-43-86)182-139(217)112(72-122(200)201)185-132(210)104(55-63-224-6)179-137(215)110(70-87-73-163-95-30-15-13-28-92(87)95)184-138(216)111(71-88-74-164-96-31-16-14-29-93(88)96)183-130(208)102(51-53-121(198)199)180-140(218)114-37-23-61-188(114)142(220)105(36-22-60-162-147(157)158)170-120(197)79-169-141(219)123(81(3)4)187-133(211)100(35-21-59-161-146(155)156)176-127(205)98(33-19-57-159-144(151)152)175-131(209)103(54-62-223-5)178-134(212)107(66-82-24-9-7-10-25-82)171-118(195)77-165-116(193)75-167-124(202)94(149)65-84-38-44-89(189)45-39-84/h7-16,24-31,38-49,73-74,80-81,94,97-114,123,163-164,189-191H,17-23,32-37,50-72,75-79,148-149H2,1-6H3,(H2,150,192)(H,165,193)(H,166,194)(H,167,202)(H,168,203)(H,169,219)(H,170,197)(H,171,195)(H,172,196)(H,173,207)(H,174,204)(H,175,209)(H,176,205)(H,177,214)(H,178,212)(H,179,215)(H,180,218)(H,181,206)(H,182,217)(H,183,208)(H,184,216)(H,185,210)(H,186,213)(H,187,211)(H,198,199)(H,200,201)(H,221,222)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t94-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair

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