BDBM50239410 CHEMBL4100183

SMILES: Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12

InChI Key: InChIKey=NQUFJLNBHRSFTR-UHFFFAOYSA-N

Data: 7 KI  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 8 hits for monomerid = 50239410   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50239410 (CHEMBL4100183) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C23H27N5O4/c29-20-4-3-19(23-22(20)25-21(30)16-32-23)27-12-10-26(11-13-27)8-1-2-14-31-18-6-9-28-17(15-18)5-7-24-28/h3-7,9,15,29H,1-2,8,10-14,16H2,(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.710	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50239410 (CHEMBL4100183) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C23H27N5O4/c29-20-4-3-19(23-22(20)25-21(30)16-32-23)27-12-10-26(11-13-27)8-1-2-14-31-18-6-9-28-17(15-18)5-7-24-28/h3-7,9,15,29H,1-2,8,10-14,16H2,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.860	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50239410 (CHEMBL4100183) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C23H27N5O4/c29-20-4-3-19(23-22(20)25-21(30)16-32-23)27-12-10-26(11-13-27)8-1-2-14-31-18-6-9-28-17(15-18)5-7-24-28/h3-7,9,15,29H,1-2,8,10-14,16H2,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank 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 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(4) dopamine receptor (Homo sapiens (Human))	BDBM50239410 (CHEMBL4100183) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C23H27N5O4/c29-20-4-3-19(23-22(20)25-21(30)16-32-23)27-12-10-26(11-13-27)8-1-2-14-31-18-6-9-28-17(15-18)5-7-24-28/h3-7,9,15,29H,1-2,8,10-14,16H2,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	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))	BDBM50239410 (CHEMBL4100183) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C23H27N5O4/c29-20-4-3-19(23-22(20)25-21(30)16-32-23)27-12-10-26(11-13-27)8-1-2-14-31-18-6-9-28-17(15-18)5-7-24-28/h3-7,9,15,29H,1-2,8,10-14,16H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+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))	BDBM50239410 (CHEMBL4100183) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C23H27N5O4/c29-20-4-3-19(23-22(20)25-21(30)16-32-23)27-12-10-26(11-13-27)8-1-2-14-31-18-6-9-28-17(15-18)5-7-24-28/h3-7,9,15,29H,1-2,8,10-14,16H2,(H,25,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+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))	BDBM50239410 (CHEMBL4100183) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C23H27N5O4/c29-20-4-3-19(23-22(20)25-21(30)16-32-23)27-12-10-26(11-13-27)8-1-2-14-31-18-6-9-28-17(15-18)5-7-24-28/h3-7,9,15,29H,1-2,8,10-14,16H2,(H,25,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60E+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))	BDBM50239410 (CHEMBL4100183) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c2OCC(=O)Nc12 Show InChI InChI=1S/C23H27N5O4/c29-20-4-3-19(23-22(20)25-21(30)16-32-23)27-12-10-26(11-13-27)8-1-2-14-31-18-6-9-28-17(15-18)5-7-24-28/h3-7,9,15,29H,1-2,8,10-14,16H2,(H,25,30)	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	62	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