BDBM50119991 2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1-((R)-2-methyl-2,3-dihydro-indol-1-yl)-ethanone::CHEMBL322222

SMILES: C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1

InChI Key: InChIKey=WNIDJZPMTZKYGD-QGZVFWFLSA-N

Data: 3 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 3 hits for monomerid = 50119991   

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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50119991 (2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1...) Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H27N3O3/c1-17-12-19-4-2-3-5-20(19)26(17)23(27)15-25-10-8-24(9-11-25)14-18-6-7-21-22(13-18)29-16-28-21/h2-7,13,17H,8-12,14-16H2,1H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand				Bioorg Med Chem Lett 12: 3111-5 (2002) BindingDB Entry DOI: 10.7270/Q2DZ07ND
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50119991 (2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1...) Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H27N3O3/c1-17-12-19-4-2-3-5-20(19)26(17)23(27)15-25-10-8-24(9-11-25)14-18-6-7-21-22(13-18)29-16-28-21/h2-7,13,17H,8-12,14-16H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand				Bioorg Med Chem Lett 12: 3111-5 (2002) BindingDB Entry DOI: 10.7270/Q2DZ07ND
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50119991 (2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1...) Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H27N3O3/c1-17-12-19-4-2-3-5-20(19)26(17)23(27)15-25-10-8-24(9-11-25)14-18-6-7-21-22(13-18)29-16-28-21/h2-7,13,17H,8-12,14-16H2,1H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.13E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1 adrenergic receptor was determined by competitive displacement assays using rat brain homogenate with [3H]prazosin a...				Bioorg Med Chem Lett 12: 3111-5 (2002) BindingDB Entry DOI: 10.7270/Q2DZ07ND
					More data for this Ligand-Target Pair