BDBM50412131 CHEMBL522708

SMILES: Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1

InChI Key: InChIKey=WQRVLZPCOXHNAI-UHFFFAOYSA-N

Data: 17 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50412131   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human recombinant 5HT1D receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]WAY100635 from human recombinant 5HT1A receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human recombinant 5HT1B receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned 5HT7 receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned adrenergic Alpha-1B receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned SERT				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned dopamine D2 receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at SERT in rat cortical synaptosomes				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned 5HT1F receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned 5HT2B receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned 5HT6 receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned 5HT5A receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned adrenergic beta2 receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	<3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned 5HT2C receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	<6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned 5HT2A receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned 5HT4 receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50412131 (CHEMBL522708) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1 Show InChI InChI=1S/C27H33N3O3S/c1-21-9-10-25-26(28-21)7-3-8-27(25)33-17-16-29-14-11-22(12-15-29)19-23-5-2-6-24(20-23)30-13-4-18-34(30,31)32/h2-3,5-10,20,22H,4,11-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of radioligand from human cloned 5HT1E receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair