BDBM50399622 CHEMBL2181168

SMILES: CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1

InChI Key: InChIKey=BIAZRDQNRJRCRQ-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50399622   

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 4 (5-HT4) (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of radioligand from human 5HT4R by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	341	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT7 by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT1D by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT1E by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT2B by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT3 by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT5A by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50399622 (CHEMBL2181168) Show SMILES CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT1B by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair