BDBM50239405 CHEMBL4064742

SMILES: Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12

InChI Key: InChIKey=GMKWDFMANHJRNB-UHFFFAOYSA-N

Data: 7 KI  3 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 10 hits for monomerid = 50239405   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50239405 (CHEMBL4064742) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C26H32N4O5/c31-22-8-7-21(26-25(22)28-24(33)17-35-26)30-12-3-11-29(13-14-30)10-1-2-15-34-19-6-4-18-5-9-23(32)27-20(18)16-19/h4,6-8,16,31H,1-3,5,9-15,17H2,(H,27,32)(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes by radioligand binding assay				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50239405 (CHEMBL4064742) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C26H32N4O5/c31-22-8-7-21(26-25(22)28-24(33)17-35-26)30-12-3-11-29(13-14-30)10-1-2-15-34-19-6-4-18-5-9-23(32)27-20(18)16-19/h4,6-8,16,31H,1-3,5,9-15,17H2,(H,27,32)(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes by radioligand binding assay				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50239405 (CHEMBL4064742) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C26H32N4O5/c31-22-8-7-21(26-25(22)28-24(33)17-35-26)30-12-3-11-29(13-14-30)10-1-2-15-34-19-6-4-18-5-9-23(32)27-20(18)16-19/h4,6-8,16,31H,1-3,5,9-15,17H2,(H,27,32)(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes by radioligand binding assay				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50239405 (CHEMBL4064742) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C26H32N4O5/c31-22-8-7-21(26-25(22)28-24(33)17-35-26)30-12-3-11-29(13-14-30)10-1-2-15-34-19-6-4-18-5-9-23(32)27-20(18)16-19/h4,6-8,16,31H,1-3,5,9-15,17H2,(H,27,32)(H,28,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D4R expressed in CHO cell membranes by radioligand binding assay				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50239405 (CHEMBL4064742) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C26H32N4O5/c31-22-8-7-21(26-25(22)28-24(33)17-35-26)30-12-3-11-29(13-14-30)10-1-2-15-34-19-6-4-18-5-9-23(32)27-20(18)16-19/h4,6-8,16,31H,1-3,5,9-15,17H2,(H,27,32)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes by radioligand binding assay				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50239405 (CHEMBL4064742) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C26H32N4O5/c31-22-8-7-21(26-25(22)28-24(33)17-35-26)30-12-3-11-29(13-14-30)10-1-2-15-34-19-6-4-18-5-9-23(32)27-20(18)16-19/h4,6-8,16,31H,1-3,5,9-15,17H2,(H,27,32)(H,28,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes by radioligand binding assay				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50239405 (CHEMBL4064742) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C26H32N4O5/c31-22-8-7-21(26-25(22)28-24(33)17-35-26)30-12-3-11-29(13-14-30)10-1-2-15-34-19-6-4-18-5-9-23(32)27-20(18)16-19/h4,6-8,16,31H,1-3,5,9-15,17H2,(H,27,32)(H,28,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D5R expressed in HEK293T cell membranes by radioligand binding assay				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50239405 (CHEMBL4064742) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C26H32N4O5/c31-22-8-7-21(26-25(22)28-24(33)17-35-26)30-12-3-11-29(13-14-30)10-1-2-15-34-19-6-4-18-5-9-23(32)27-20(18)16-19/h4,6-8,16,31H,1-3,5,9-15,17H2,(H,27,32)(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	78	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Inhibition of [3H](S)-sulpiride binding in striatal homogenates of rat brain				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50239405 (CHEMBL4064742) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C26H32N4O5/c31-22-8-7-21(26-25(22)28-24(33)17-35-26)30-12-3-11-29(13-14-30)10-1-2-15-34-19-6-4-18-5-9-23(32)27-20(18)16-19/h4,6-8,16,31H,1-3,5,9-15,17H2,(H,27,32)(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 assessed as induction of beta-arrestin2 recruitmen...				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50239405 (CHEMBL4064742) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C26H32N4O5/c31-22-8-7-21(26-25(22)28-24(33)17-35-26)30-12-3-11-29(13-14-30)10-1-2-15-34-19-6-4-18-5-9-23(32)27-20(18)16-19/h4,6-8,16,31H,1-3,5,9-15,17H2,(H,27,32)(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	630	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 and GRK2 assessed as induction of beta-arrestin2 r...				J Med Chem 60: 4693-4713 (2017) Article DOI: 10.1021/acs.jmedchem.7b00363 BindingDB Entry DOI: 10.7270/Q2QC05NH
					More data for this Ligand-Target Pair