BDBM50239408 CHEMBL4083239

SMILES: Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12

InChI Key: InChIKey=VJUQIMXHRMEYAS-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 = 50239408   

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))	BDBM50239408 (CHEMBL4083239) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C26H30N4O4/c31-23-8-7-22(20-6-10-25(33)28-26(20)23)30-14-12-29(13-15-30)11-1-2-16-34-19-5-3-18-4-9-24(32)27-21(18)17-19/h3,5-8,10,17,31H,1-2,4,9,11-16H2,(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	0.890	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))	BDBM50239408 (CHEMBL4083239) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C26H30N4O4/c31-23-8-7-22(20-6-10-25(33)28-26(20)23)30-14-12-29(13-15-30)11-1-2-16-34-19-5-3-18-4-9-24(32)27-21(18)17-19/h3,5-8,10,17,31H,1-2,4,9,11-16H2,(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	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))	BDBM50239408 (CHEMBL4083239) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C26H30N4O4/c31-23-8-7-22(20-6-10-25(33)28-26(20)23)30-14-12-29(13-15-30)11-1-2-16-34-19-5-3-18-4-9-24(32)27-21(18)17-19/h3,5-8,10,17,31H,1-2,4,9,11-16H2,(H,27,32)(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	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))	BDBM50239408 (CHEMBL4083239) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C26H30N4O4/c31-23-8-7-22(20-6-10-25(33)28-26(20)23)30-14-12-29(13-15-30)11-1-2-16-34-19-5-3-18-4-9-24(32)27-21(18)17-19/h3,5-8,10,17,31H,1-2,4,9,11-16H2,(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	66	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))	BDBM50239408 (CHEMBL4083239) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C26H30N4O4/c31-23-8-7-22(20-6-10-25(33)28-26(20)23)30-14-12-29(13-15-30)11-1-2-16-34-19-5-3-18-4-9-24(32)27-21(18)17-19/h3,5-8,10,17,31H,1-2,4,9,11-16H2,(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	2.20E+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))	BDBM50239408 (CHEMBL4083239) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C26H30N4O4/c31-23-8-7-22(20-6-10-25(33)28-26(20)23)30-14-12-29(13-15-30)11-1-2-16-34-19-5-3-18-4-9-24(32)27-21(18)17-19/h3,5-8,10,17,31H,1-2,4,9,11-16H2,(H,27,32)(H,28,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40E+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))	BDBM50239408 (CHEMBL4083239) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C26H30N4O4/c31-23-8-7-22(20-6-10-25(33)28-26(20)23)30-14-12-29(13-15-30)11-1-2-16-34-19-5-3-18-4-9-24(32)27-21(18)17-19/h3,5-8,10,17,31H,1-2,4,9,11-16H2,(H,27,32)(H,28,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.30E+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 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))	BDBM50239408 (CHEMBL4083239) Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C26H30N4O4/c31-23-8-7-22(20-6-10-25(33)28-26(20)23)30-14-12-29(13-15-30)11-1-2-16-34-19-5-3-18-4-9-24(32)27-21(18)17-19/h3,5-8,10,17,31H,1-2,4,9,11-16H2,(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	93	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Inhibitory activity against Leucine aminopeptidase				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