BDBM50130426 CHEMBL105261::N-[3-(1-Methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-propionamide

SMILES: CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1

InChI Key: InChIKey=ORJIHHLJBCQRBS-UHFFFAOYSA-N

Data: 10 KI  1 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 11 hits for monomerid = 50130426   

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
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1F receptor				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 2C recepto...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1B recepto...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1D recepto...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1E recepto...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1A recepto...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 6 receptor				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 4 receptor				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 2A recepto...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 2B recepto...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50130426 (CHEMBL105261 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H22N4O/c1-3-15(21)18-14-5-4-13-16(19-14)12(10-17-13)11-6-8-20(2)9-7-11/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair