BDBM50083116 (S)-3-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-propan-1-ol::CHEMBL146131

SMILES: OC[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1

InChI Key: InChIKey=GDIIVCHUJPZCJM-DEOSSOPVSA-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 = 50083116   

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))	BDBM50083116 ((S)-3-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-ind...) Show SMILES OC[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C27H34N6O/c34-18-24(15-21-5-2-1-3-6-21)31-23-10-13-32(14-11-23)12-4-7-22-17-28-27-9-8-25(16-26(22)27)33-19-29-30-20-33/h1-3,5-6,8-9,16-17,19-20,23-24,28,31,34H,4,7,10-15,18H2/t24-/m0/s1	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	3.60	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 1B (Homo sapiens (Human))	BDBM50083116 ((S)-3-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-ind...) Show SMILES OC[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C27H34N6O/c34-18-24(15-21-5-2-1-3-6-21)31-23-10-13-32(14-11-23)12-4-7-22-17-28-27-9-8-25(16-26(22)27)33-19-29-30-20-33/h1-3,5-6,8-9,16-17,19-20,23-24,28,31,34H,4,7,10-15,18H2/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells by [3H]-5-HT displacement.				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))	BDBM50083116 ((S)-3-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-ind...) Show SMILES OC[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C27H34N6O/c34-18-24(15-21-5-2-1-3-6-21)31-23-10-13-32(14-11-23)12-4-7-22-17-28-27-9-8-25(16-26(22)27)33-19-29-30-20-33/h1-3,5-6,8-9,16-17,19-20,23-24,28,31,34H,4,7,10-15,18H2/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 1D receptor stably expressed in CHO cells by [3H]-5-HT displacement.				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair