BDBM50403827 CHEMBL414628

SMILES: COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12

InChI Key: InChIKey=JZKXKHVOIUMWCS-UHFFFAOYSA-N

Data: 16 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 16 hits for monomerid = 50403827   

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 7 (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 7 receptor in HEK 293 cells using [3H]5-CT as the radioligand (n...				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 6 receptor				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 6 receptor				J Med Chem 48: 4216-9 (2005) Checked by Author Article DOI: 10.1021/jm050247c BindingDB Entry DOI: 10.7270/Q2736SD0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 6 receptor				J Med Chem 48: 4216-9 (2005) Checked by Author Article DOI: 10.1021/jm050247c BindingDB Entry DOI: 10.7270/Q2736SD0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 1D receptor in CHO cells using [3H]5-HT as the radioligand				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 1A receptor in HEK 293 cells using [3H]8-OH-DPAT as the radiolig...				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 2C receptor in HEK 293 cells using [3H]mesulergine as the radiol...				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human cloned 5-HT2B receptor in HEK 293 cells using [3H]5-HT as the radioligand				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Dopamine receptor D3 in CHO cells using [125I]iodosulpiride as the radioligand				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 1B receptor in CHO cells using [3H]5-HT as the radioligand				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Dopamine receptor D2 in CHO cells using [125I]iodosulpiride as the radioligand				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 2A receptor in HEK 293 cells using [3H]ketanserin as the radioli...				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against human cloned 5-hydroxytryptamine 4 receptor in HeLa cells using [3H]-LSD as the radioligand				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 1F receptor in CHO cells using [3H]-5-HT as the radioligand				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50403827 (CHEMBL414628) Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12 Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 1E receptor in CHO cells using [3H]5-HT as the radioligand				Bioorg Med Chem Lett 11: 55-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6RPV
					More data for this Ligand-Target Pair