BDBM50239403 CHEMBL4102628

SMILES: Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12

InChI Key: InChIKey=RWMHVMBWEZTTSB-UHFFFAOYSA-N

Data: 7 KI  1 IC50  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 11 hits for monomerid = 50239403   

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))	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.810	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))	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	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(3) dopamine receptor (Homo sapiens (Human))	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	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))	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	75	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))	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+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]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))	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+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 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))	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+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))	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	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	200	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	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	67	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Agonist activity at human D2S receptor expressed in HEK293T cell membranes coexpressing Galphao1 assessed as induction of nucleotide exchange preincu...				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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-Nuernberg Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells assessed as reduction in tail current at -40 holding potential by automated patch-clamp 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))	BDBM50239403 (CHEMBL4102628) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)	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	190	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