BDBM50239406 CHEMBL4091507

SMILES: Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12

InChI Key: InChIKey=TYDUDPVGSUDIDV-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 = 50239406   

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))	BDBM50239406 (CHEMBL4091507) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	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))	BDBM50239406 (CHEMBL4091507) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	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))	BDBM50239406 (CHEMBL4091507) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	78	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))	BDBM50239406 (CHEMBL4091507) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	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))	BDBM50239406 (CHEMBL4091507) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.00E+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))	BDBM50239406 (CHEMBL4091507) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+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))	BDBM50239406 (CHEMBL4091507) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)	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))	BDBM50239406 (CHEMBL4091507) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)	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	250	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))	BDBM50239406 (CHEMBL4091507) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)	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	90	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))	BDBM50239406 (CHEMBL4091507) Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccn4nccc4c3)CC2)c2ccc(=O)[nH]c12 Show InChI InChI=1S/C25H29N5O3/c31-23-6-5-22(21-4-7-24(32)27-25(21)23)29-13-3-12-28(15-16-29)11-1-2-17-33-20-9-14-30-19(18-20)8-10-26-30/h4-10,14,18,31H,1-3,11-13,15-17H2,(H,27,32)	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	370	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