BDBM50065423 Benzyl-{(3R,4S)-3-fluoro-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-methyl-amine::CHEMBL91534

SMILES: CN(Cc1ccccc1)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F

InChI Key: InChIKey=UDCHGILOZYGNHW-RSXGOPAZSA-N

Data: 3 IC50

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 = 50065423   

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 1D (Homo sapiens (Human))	BDBM50065423 (Benzyl-{(3R,4S)-3-fluoro-1-[3-(5-[1,2,4]triazol-4-...) Show SMILES CN(Cc1ccccc1)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F Show InChI InChI=1S/C26H31FN6/c1-31(16-20-6-3-2-4-7-20)26-11-13-32(17-24(26)27)12-5-8-21-15-28-25-10-9-22(14-23(21)25)33-18-29-30-19-33/h2-4,6-7,9-10,14-15,18-19,24,26,28H,5,8,11-13,16-17H2,1H3/t24-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50065423 (Benzyl-{(3R,4S)-3-fluoro-1-[3-(5-[1,2,4]triazol-4-...) Show SMILES CN(Cc1ccccc1)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F Show InChI InChI=1S/C26H31FN6/c1-31(16-20-6-3-2-4-7-20)26-11-13-32(17-24(26)27)12-5-8-21-15-28-25-10-9-22(14-23(21)25)33-18-29-30-19-33/h2-4,6-7,9-10,14-15,18-19,24,26,28H,5,8,11-13,16-17H2,1H3/t24-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 41: 2667-70 (1998) Article DOI: 10.1021/jm980204e BindingDB Entry DOI: 10.7270/Q22Z14PW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50065423 (Benzyl-{(3R,4S)-3-fluoro-1-[3-(5-[1,2,4]triazol-4-...) Show SMILES CN(Cc1ccccc1)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F Show InChI InChI=1S/C26H31FN6/c1-31(16-20-6-3-2-4-7-20)26-11-13-32(17-24(26)27)12-5-8-21-15-28-25-10-9-22(14-23(21)25)33-18-29-30-19-33/h2-4,6-7,9-10,14-15,18-19,24,26,28H,5,8,11-13,16-17H2,1H3/t24-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1B receptor expressed in CHO cells				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair