BDBM50049076 CHEMBL327103::Isobutyric acid 3-(2-dimethylamino-ethyl)-1H-indol-5-yl ester

SMILES: CC(C)C(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1

InChI Key: InChIKey=DTEFJSMKRSVRKG-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50049076   

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))	BDBM50049076 (CHEMBL327103 | Isobutyric acid 3-(2-dimethylamino-...) Show SMILES CC(C)C(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C16H22N2O2/c1-11(2)16(19)20-13-5-6-15-14(9-13)12(10-17-15)7-8-18(3)4/h5-6,9-11,17H,7-8H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand				J Med Chem 39: 314-22 (1996) Article DOI: 10.1021/jm950498t BindingDB Entry DOI: 10.7270/Q2DJ5DRK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50049076 (CHEMBL327103 | Isobutyric acid 3-(2-dimethylamino-...) Show SMILES CC(C)C(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C16H22N2O2/c1-11(2)16(19)20-13-5-6-15-14(9-13)12(10-17-15)7-8-18(3)4/h5-6,9-11,17H,7-8H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity of the compound towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenate				J Med Chem 39: 314-22 (1996) Article DOI: 10.1021/jm950498t BindingDB Entry DOI: 10.7270/Q2DJ5DRK
					More data for this Ligand-Target Pair