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SMILES: CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2ccc3OCOc3c2)CC1

InChI Key: InChIKey=IHGOJNWFGIOWTK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50530574   

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))	US11337971, Compound 113a (CHEMBL4464971) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C25H32ClN3O5/c1-3-17-12-20(26)24(32-2)21(13-17)29-10-8-28(9-11-29)15-19(30)6-7-27-25(31)18-4-5-22-23(14-18)34-16-33-22/h4-5,12-14,19,30H,3,6-11,15-16H2,1-2H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		24.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530574 (CHEMBL4464971) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C25H32ClN3O5/c1-3-17-12-20(26)24(32-2)21(13-17)29-10-8-28(9-11-29)15-19(30)6-7-27-25(31)18-4-5-22-23(14-18)34-16-33-22/h4-5,12-14,19,30H,3,6-11,15-16H2,1-2H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530574 (CHEMBL4464971) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C25H32ClN3O5/c1-3-17-12-20(26)24(32-2)21(13-17)29-10-8-28(9-11-29)15-19(30)6-7-27-25(31)18-4-5-22-23(14-18)34-16-33-22/h4-5,12-14,19,30H,3,6-11,15-16H2,1-2H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	US11337971, Compound 113a (CHEMBL4464971) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C25H32ClN3O5/c1-3-17-12-20(26)24(32-2)21(13-17)29-10-8-28(9-11-29)15-19(30)6-7-27-25(31)18-4-5-22-23(14-18)34-16-33-22/h4-5,12-14,19,30H,3,6-11,15-16H2,1-2H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		364	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530574 (CHEMBL4464971) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C25H32ClN3O5/c1-3-17-12-20(26)24(32-2)21(13-17)29-10-8-28(9-11-29)15-19(30)6-7-27-25(31)18-4-5-22-23(14-18)34-16-33-22/h4-5,12-14,19,30H,3,6-11,15-16H2,1-2H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	364	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530574 (CHEMBL4464971) Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C25H32ClN3O5/c1-3-17-12-20(26)24(32-2)21(13-17)29-10-8-28(9-11-29)15-19(30)6-7-27-25(31)18-4-5-22-23(14-18)34-16-33-22/h4-5,12-14,19,30H,3,6-11,15-16H2,1-2H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	364	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair