BDBM50347622 CHEMBL1803049

SMILES: CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1

InChI Key: InChIKey=CSXDCXKRVCLDQH-UHFFFAOYSA-N

Data: 9 KI

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 9 hits for monomerid = 50347622   

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))	BDBM50347622 (CHEMBL1803049) Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1 Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells in presence of 100 mM sodium chloride				J Med Chem 54: 4896-903 (2011) Article DOI: 10.1021/jm2004859 BindingDB Entry DOI: 10.7270/Q2RB74ZR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50347622 (CHEMBL1803049) Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1 Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells				J Med Chem 54: 4896-903 (2011) Article DOI: 10.1021/jm2004859 BindingDB Entry DOI: 10.7270/Q2RB74ZR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50347622 (CHEMBL1803049) Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1 Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay				J Med Chem 54: 7911-9 (2011) Article DOI: 10.1021/jm2009919 BindingDB Entry DOI: 10.7270/Q2CC113Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50347622 (CHEMBL1803049) Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1 Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D2long receptor expressed in CHO cells				J Med Chem 54: 4896-903 (2011) Article DOI: 10.1021/jm2004859 BindingDB Entry DOI: 10.7270/Q2RB74ZR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50347622 (CHEMBL1803049) Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1 Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay				J Med Chem 54: 7911-9 (2011) Article DOI: 10.1021/jm2009919 BindingDB Entry DOI: 10.7270/Q2CC113Z
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50347622 (CHEMBL1803049) Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1 Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay				J Med Chem 54: 7911-9 (2011) Article DOI: 10.1021/jm2009919 BindingDB Entry DOI: 10.7270/Q2CC113Z
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50347622 (CHEMBL1803049) Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1 Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells				J Med Chem 54: 4896-903 (2011) Article DOI: 10.1021/jm2004859 BindingDB Entry DOI: 10.7270/Q2RB74ZR
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Sus scrofa)	BDBM50347622 (CHEMBL1803049) Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1 Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Curated by ChEMBL					Assay Description Displacement of [3H]SCH 23390 from pig dopamine D1 receptor in striatal membrane				J Med Chem 54: 7911-9 (2011) Article DOI: 10.1021/jm2009919 BindingDB Entry DOI: 10.7270/Q2CC113Z
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Sus scrofa)	BDBM50347622 (CHEMBL1803049) Show SMILES CCCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1 Show InChI InChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from D1 receptor from porcine cerebral cortex homogenates				J Med Chem 54: 4896-903 (2011) Article DOI: 10.1021/jm2004859 BindingDB Entry DOI: 10.7270/Q2RB74ZR
					More data for this Ligand-Target Pair