BDBM50083110 CHEMBL146024::Methyl-thiophen-3-ylmethyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine

SMILES: CN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1

InChI Key: InChIKey=RLXVWSMPJVSNFH-UHFFFAOYSA-N

Data: 2 IC50  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 3 hits for monomerid = 50083110   

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 1B (Homo sapiens (Human))	BDBM50083110 (CHEMBL146024 | Methyl-thiophen-3-ylmethyl-{1-[3-(5...) Show SMILES CN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C24H30N6S/c1-28(15-19-8-12-31-16-19)21-6-10-29(11-7-21)9-2-3-20-14-25-24-5-4-22(13-23(20)24)30-17-26-27-18-30/h4-5,8,12-14,16-18,21,25H,2-3,6-7,9-11,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50083110 (CHEMBL146024 | Methyl-thiophen-3-ylmethyl-{1-[3-(5...) Show SMILES CN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C24H30N6S/c1-28(15-19-8-12-31-16-19)21-6-10-29(11-7-21)9-2-3-20-14-25-24-5-4-22(13-23(20)24)30-17-26-27-18-30/h4-5,8,12-14,16-18,21,25H,2-3,6-7,9-11,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50083110 (CHEMBL146024 | Methyl-thiophen-3-ylmethyl-{1-[3-(5...) Show SMILES CN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C24H30N6S/c1-28(15-19-8-12-31-16-19)21-6-10-29(11-7-21)9-2-3-20-14-25-24-5-4-22(13-23(20)24)30-17-26-27-18-30/h4-5,8,12-14,16-18,21,25H,2-3,6-7,9-11,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair