BDBM50053378 CHEMBL3318833

SMILES: Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=ODDQSYJSQXYQTO-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50053378   

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))	BDBM50053378 (CHEMBL3318833) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C48H52Cl2F2N2O6/c49-39-17-13-37(14-18-39)47(25-31-53(32-26-47)29-3-5-43(55)35-9-21-41(51)22-10-35)59-45(57)7-1-2-8-46(58)60-48(38-15-19-40(50)20-16-38)27-33-54(34-28-48)30-4-6-44(56)36-11-23-42(52)24-12-36/h9-24H,1-8,25-34H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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 stably expressed in CHO cell membranes by competitive binding assay				Bioorg Med Chem Lett 24: 3753-6 (2014) Article DOI: 10.1016/j.bmcl.2014.06.079 BindingDB Entry DOI: 10.7270/Q2FF3V0M
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50053378 (CHEMBL3318833) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C48H52Cl2F2N2O6/c49-39-17-13-37(14-18-39)47(25-31-53(32-26-47)29-3-5-43(55)35-9-21-41(51)22-10-35)59-45(57)7-1-2-8-46(58)60-48(38-15-19-40(50)20-16-38)27-33-54(34-28-48)30-4-6-44(56)36-11-23-42(52)24-12-36/h9-24H,1-8,25-34H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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]spiperone from human D2long receptor stably expressed in CHO cell membranes by competitive binding assay				Bioorg Med Chem Lett 24: 3753-6 (2014) Article DOI: 10.1016/j.bmcl.2014.06.079 BindingDB Entry DOI: 10.7270/Q2FF3V0M
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50053378 (CHEMBL3318833) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C48H52Cl2F2N2O6/c49-39-17-13-37(14-18-39)47(25-31-53(32-26-47)29-3-5-43(55)35-9-21-41(51)22-10-35)59-45(57)7-1-2-8-46(58)60-48(38-15-19-40(50)20-16-38)27-33-54(34-28-48)30-4-6-44(56)36-11-23-42(52)24-12-36/h9-24H,1-8,25-34H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 stably expressed in CHO cell membranes by competitive binding assay				Bioorg Med Chem Lett 24: 3753-6 (2014) Article DOI: 10.1016/j.bmcl.2014.06.079 BindingDB Entry DOI: 10.7270/Q2FF3V0M
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50053378 (CHEMBL3318833) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C48H52Cl2F2N2O6/c49-39-17-13-37(14-18-39)47(25-31-53(32-26-47)29-3-5-43(55)35-9-21-41(51)22-10-35)59-45(57)7-1-2-8-46(58)60-48(38-15-19-40(50)20-16-38)27-33-54(34-28-48)30-4-6-44(56)36-11-23-42(52)24-12-36/h9-24H,1-8,25-34H2	Reactome pathway KEGG UniProtKB/SwissProt 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 D4.4 receptor stably expressed in CHO cell membranes by competitive binding assay				Bioorg Med Chem Lett 24: 3753-6 (2014) Article DOI: 10.1016/j.bmcl.2014.06.079 BindingDB Entry DOI: 10.7270/Q2FF3V0M
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Sus scrofa)	BDBM50053378 (CHEMBL3318833) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C48H52Cl2F2N2O6/c49-39-17-13-37(14-18-39)47(25-31-53(32-26-47)29-3-5-43(55)35-9-21-41(51)22-10-35)59-45(57)7-1-2-8-46(58)60-48(38-15-19-40(50)20-16-38)27-33-54(34-28-48)30-4-6-44(56)36-11-23-42(52)24-12-36/h9-24H,1-8,25-34H2	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 porcine striatal membranes D1 receptor by competitive binding assay				Bioorg Med Chem Lett 24: 3753-6 (2014) Article DOI: 10.1016/j.bmcl.2014.06.079 BindingDB Entry DOI: 10.7270/Q2FF3V0M
					More data for this Ligand-Target Pair