BDBM50240618 (2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide::CHEMBL76370::TEGASEROD

SMILES: CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12

InChI Key: InChIKey=IKBKZGMPCYNSLU-UHFFFAOYSA-N

Data: 5 KI  3 EC50

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 8 hits for monomerid = 50240618   

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))	BDBM50240618 ((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...) Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 4849-53 (2012) Article DOI: 10.1016/j.bmcl.2012.05.034 BindingDB Entry DOI: 10.7270/Q20V8DVF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50240618 ((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...) Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human recombinant 5HT4c receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 6048-52 (2012) Article DOI: 10.1016/j.bmcl.2012.08.051 BindingDB Entry DOI: 10.7270/Q2X63P1X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50240618 ((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...) Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]GR113808 from human 5HT4 receptor expressed in HEK293 cells				J Nat Prod 69: 1421-4 (2006) Article DOI: 10.1021/np0601760 BindingDB Entry DOI: 10.7270/Q2H9950V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50240618 ((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...) Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5HT3 receptor				Bioorg Med Chem Lett 23: 4210-5 (2013) Article DOI: 10.1016/j.bmcl.2013.05.018 BindingDB Entry DOI: 10.7270/Q2F47QJJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50240618 ((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...) Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Caen Curated by ChEMBL					Assay Description Binding affinity at 5HT3 receptor				Bioorg Med Chem 17: 2607-22 (2009) Article DOI: 10.1016/j.bmc.2008.11.045 BindingDB Entry DOI: 10.7270/Q2CJ8DCG
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50240618 ((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...) Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.31	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at 5HT4 receptor in guinea pig colonic longitudinal muscle/myentric plexus assessed as contraction				Bioorg Med Chem Lett 22: 6048-52 (2012) Article DOI: 10.1016/j.bmcl.2012.08.051 BindingDB Entry DOI: 10.7270/Q2X63P1X
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50240618 ((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...) Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Induction of 5-HT4 receptor-mediated contraction in guinea pig longitudinal muscle myenteric plexus				Bioorg Med Chem Lett 23: 4210-5 (2013) Article DOI: 10.1016/j.bmcl.2013.05.018 BindingDB Entry DOI: 10.7270/Q2F47QJJ
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50240618 ((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...) Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.31	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at 5HT4 receptor in guinea pig colon assessed as longitudinal muscle plexus contraction				Bioorg Med Chem Lett 22: 4849-53 (2012) Article DOI: 10.1016/j.bmcl.2012.05.034 BindingDB Entry DOI: 10.7270/Q20V8DVF
					More data for this Ligand-Target Pair