BDBM50130433 CHEMBL420475::Cyclobutanecarboxylic acid [3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-amide

SMILES: CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12

InChI Key: InChIKey=CGNOEAKWDFGWNP-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50130433   

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))	BDBM50130433 (CHEMBL420475 | Cyclobutanecarboxylic acid [3-(1-me...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12 Show InChI InChI=1S/C18H24N4O/c1-22-9-7-12(8-10-22)14-11-19-15-5-6-16(20-17(14)15)21-18(23)13-3-2-4-13/h5-6,11-13,19H,2-4,7-10H2,1H3,(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.70	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 1B (Homo sapiens (Human))	BDBM50130433 (CHEMBL420475 | Cyclobutanecarboxylic acid [3-(1-me...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12 Show InChI InChI=1S/C18H24N4O/c1-22-9-7-12(8-10-22)14-11-19-15-5-6-16(20-17(14)15)21-18(23)13-3-2-4-13/h5-6,11-13,19H,2-4,7-10H2,1H3,(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	380	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))	BDBM50130433 (CHEMBL420475 | Cyclobutanecarboxylic acid [3-(1-me...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12 Show InChI InChI=1S/C18H24N4O/c1-22-9-7-12(8-10-22)14-11-19-15-5-6-16(20-17(14)15)21-18(23)13-3-2-4-13/h5-6,11-13,19H,2-4,7-10H2,1H3,(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	900	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50130433 (CHEMBL420475 | Cyclobutanecarboxylic acid [3-(1-me...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12 Show InChI InChI=1S/C18H24N4O/c1-22-9-7-12(8-10-22)14-11-19-15-5-6-16(20-17(14)15)21-18(23)13-3-2-4-13/h5-6,11-13,19H,2-4,7-10H2,1H3,(H,20,21,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+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
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50130433 (CHEMBL420475 | Cyclobutanecarboxylic acid [3-(1-me...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12 Show InChI InChI=1S/C18H24N4O/c1-22-9-7-12(8-10-22)14-11-19-15-5-6-16(20-17(14)15)21-18(23)13-3-2-4-13/h5-6,11-13,19H,2-4,7-10H2,1H3,(H,20,21,23)	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	21	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