BDBM50239411 CHEMBL4068702

SMILES: CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1

InChI Key: InChIKey=QUFMZNYDEPSZLF-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 = 50239411   

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))	BDBM50239411 (CHEMBL4068702) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1 Show InChI InChI=1S/C35H47N7O5/c1-3-4-20-42-25-27(38-39-42)9-7-23-47-31-14-10-26(24-32(31)46-2)35(45)36-16-5-6-17-40-18-8-19-41(22-21-40)29-12-13-30(43)34-28(29)11-15-33(44)37-34/h10-15,24-25,43H,3-9,16-23H2,1-2H3,(H,36,45)(H,37,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	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))	BDBM50239411 (CHEMBL4068702) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1 Show InChI InChI=1S/C35H47N7O5/c1-3-4-20-42-25-27(38-39-42)9-7-23-47-31-14-10-26(24-32(31)46-2)35(45)36-16-5-6-17-40-18-8-19-41(22-21-40)29-12-13-30(43)34-28(29)11-15-33(44)37-34/h10-15,24-25,43H,3-9,16-23H2,1-2H3,(H,36,45)(H,37,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	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))	BDBM50239411 (CHEMBL4068702) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1 Show InChI InChI=1S/C35H47N7O5/c1-3-4-20-42-25-27(38-39-42)9-7-23-47-31-14-10-26(24-32(31)46-2)35(45)36-16-5-6-17-40-18-8-19-41(22-21-40)29-12-13-30(43)34-28(29)11-15-33(44)37-34/h10-15,24-25,43H,3-9,16-23H2,1-2H3,(H,36,45)(H,37,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50239411 (CHEMBL4068702) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1 Show InChI InChI=1S/C35H47N7O5/c1-3-4-20-42-25-27(38-39-42)9-7-23-47-31-14-10-26(24-32(31)46-2)35(45)36-16-5-6-17-40-18-8-19-41(22-21-40)29-12-13-30(43)34-28(29)11-15-33(44)37-34/h10-15,24-25,43H,3-9,16-23H2,1-2H3,(H,36,45)(H,37,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+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(4) dopamine receptor (Homo sapiens (Human))	BDBM50239411 (CHEMBL4068702) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1 Show InChI InChI=1S/C35H47N7O5/c1-3-4-20-42-25-27(38-39-42)9-7-23-47-31-14-10-26(24-32(31)46-2)35(45)36-16-5-6-17-40-18-8-19-41(22-21-40)29-12-13-30(43)34-28(29)11-15-33(44)37-34/h10-15,24-25,43H,3-9,16-23H2,1-2H3,(H,36,45)(H,37,44)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+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]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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50239411 (CHEMBL4068702) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1 Show InChI InChI=1S/C35H47N7O5/c1-3-4-20-42-25-27(38-39-42)9-7-23-47-31-14-10-26(24-32(31)46-2)35(45)36-16-5-6-17-40-18-8-19-41(22-21-40)29-12-13-30(43)34-28(29)11-15-33(44)37-34/h10-15,24-25,43H,3-9,16-23H2,1-2H3,(H,36,45)(H,37,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+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]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))	BDBM50239411 (CHEMBL4068702) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1 Show InChI InChI=1S/C35H47N7O5/c1-3-4-20-42-25-27(38-39-42)9-7-23-47-31-14-10-26(24-32(31)46-2)35(45)36-16-5-6-17-40-18-8-19-41(22-21-40)29-12-13-30(43)34-28(29)11-15-33(44)37-34/h10-15,24-25,43H,3-9,16-23H2,1-2H3,(H,36,45)(H,37,44)	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))	BDBM50239411 (CHEMBL4068702) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1 Show InChI InChI=1S/C35H47N7O5/c1-3-4-20-42-25-27(38-39-42)9-7-23-47-31-14-10-26(24-32(31)46-2)35(45)36-16-5-6-17-40-18-8-19-41(22-21-40)29-12-13-30(43)34-28(29)11-15-33(44)37-34/h10-15,24-25,43H,3-9,16-23H2,1-2H3,(H,36,45)(H,37,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	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