BDBM50119976 (S)-1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-acetyl}-2,3-dihydro-1H-indole-2-carboxylic acid methyl ester::CHEMBL107631

SMILES: COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1

InChI Key: InChIKey=FZEKBTQTBQVMTK-NRFANRHFSA-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 = 50119976   

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))	BDBM50119976 ((S)-1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-acet...) Show SMILES COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C23H26ClN3O3/c1-30-23(29)21-14-18-4-2-3-5-20(18)27(21)22(28)16-26-12-10-25(11-13-26)15-17-6-8-19(24)9-7-17/h2-9,21H,10-16H2,1H3/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	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))	BDBM50119976 ((S)-1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-acet...) Show SMILES COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C23H26ClN3O3/c1-30-23(29)21-14-18-4-2-3-5-20(18)27(21)22(28)16-26-12-10-25(11-13-26)15-17-6-8-19(24)9-7-17/h2-9,21H,10-16H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.18E+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))	BDBM50119976 ((S)-1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-acet...) Show SMILES COC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C23H26ClN3O3/c1-30-23(29)21-14-18-4-2-3-5-20(18)27(21)22(28)16-26-12-10-25(11-13-26)15-17-6-8-19(24)9-7-17/h2-9,21H,10-16H2,1H3/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+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