BDBM50053381 CHEMBL3318836

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

InChI Key: InChIKey=VQMDEMJGEQRPDH-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 = 50053381   

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))	BDBM50053381 (CHEMBL3318836) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C51H58Cl2F2N2O6/c52-42-20-16-40(17-21-42)50(28-34-56(35-29-50)32-6-8-46(58)38-12-24-44(54)25-13-38)62-48(60)10-4-2-1-3-5-11-49(61)63-51(41-18-22-43(53)23-19-41)30-36-57(37-31-51)33-7-9-47(59)39-14-26-45(55)27-15-39/h12-27H,1-11,28-37H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50053381 (CHEMBL3318836) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C51H58Cl2F2N2O6/c52-42-20-16-40(17-21-42)50(28-34-56(35-29-50)32-6-8-46(58)38-12-24-44(54)25-13-38)62-48(60)10-4-2-1-3-5-11-49(61)63-51(41-18-22-43(53)23-19-41)30-36-57(37-31-51)33-7-9-47(59)39-14-26-45(55)27-15-39/h12-27H,1-11,28-37H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	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(3) dopamine receptor (Homo sapiens (Human))	BDBM50053381 (CHEMBL3318836) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C51H58Cl2F2N2O6/c52-42-20-16-40(17-21-42)50(28-34-56(35-29-50)32-6-8-46(58)38-12-24-44(54)25-13-38)62-48(60)10-4-2-1-3-5-11-49(61)63-51(41-18-22-43(53)23-19-41)30-36-57(37-31-51)33-7-9-47(59)39-14-26-45(55)27-15-39/h12-27H,1-11,28-37H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	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))	BDBM50053381 (CHEMBL3318836) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C51H58Cl2F2N2O6/c52-42-20-16-40(17-21-42)50(28-34-56(35-29-50)32-6-8-46(58)38-12-24-44(54)25-13-38)62-48(60)10-4-2-1-3-5-11-49(61)63-51(41-18-22-43(53)23-19-41)30-36-57(37-31-51)33-7-9-47(59)39-14-26-45(55)27-15-39/h12-27H,1-11,28-37H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	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)	BDBM50053381 (CHEMBL3318836) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C51H58Cl2F2N2O6/c52-42-20-16-40(17-21-42)50(28-34-56(35-29-50)32-6-8-46(58)38-12-24-44(54)25-13-38)62-48(60)10-4-2-1-3-5-11-49(61)63-51(41-18-22-43(53)23-19-41)30-36-57(37-31-51)33-7-9-47(59)39-14-26-45(55)27-15-39/h12-27H,1-11,28-37H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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 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