BDBM50347630 CHEMBL1803024

SMILES: COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1

InChI Key: InChIKey=JJIBAQPGIKFZRA-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 = 50347630   

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))	BDBM50347630 (CHEMBL1803024) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50347630 (CHEMBL1803024) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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))	BDBM50347630 (CHEMBL1803024) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	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))	BDBM50347630 (CHEMBL1803024) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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))	BDBM50347630 (CHEMBL1803024) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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(3) dopamine receptor (Homo sapiens (Human))	BDBM50347630 (CHEMBL1803024) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50347630 (CHEMBL1803024) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	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
Dopamine D1 receptor (Sus scrofa)	BDBM50347630 (CHEMBL1803024) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	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)	BDBM50347630 (CHEMBL1803024) Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(CN6CCN(CC6)c6ccccc6OC)cc5OC)nn4)nn3)c(OC)c2)CC1 Show InChI InChI=1S/C56H76N10O6/c1-67-51-21-11-9-19-49(51)63-33-29-61(30-34-63)41-45-23-25-53(55(39-45)69-3)71-37-15-17-47-43-65(59-57-47)27-13-7-5-6-8-14-28-66-44-48(58-60-66)18-16-38-72-54-26-24-46(40-56(54)70-4)42-62-31-35-64(36-32-62)50-20-10-12-22-52(50)68-2/h9-12,19-26,39-40,43-44H,5-8,13-18,27-38,41-42H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	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