BDBM50530677 CHEMBL4568709

SMILES: CN(C)c1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1

InChI Key: InChIKey=QSJWHLQITDTDHF-UHFFFAOYSA-N

Data: 2 KI  2 Kd

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 4 hits for monomerid = 50530677   

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))	BDBM50530677 (CHEMBL4568709) Show SMILES CN(C)c1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H29FN2O2/c1-25(2)21-11-7-19(8-12-21)23(28)13-16-26(17-14-23)15-3-4-22(27)18-5-9-20(24)10-6-18/h5-12,28H,3-4,13-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530677 (CHEMBL4568709) Show SMILES CN(C)c1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H29FN2O2/c1-25(2)21-11-7-19(8-12-21)23(28)13-16-26(17-14-23)15-3-4-22(27)18-5-9-20(24)10-6-18/h5-12,28H,3-4,13-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530677 (CHEMBL4568709) Show SMILES CN(C)c1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H29FN2O2/c1-25(2)21-11-7-19(8-12-21)23(28)13-16-26(17-14-23)15-3-4-22(27)18-5-9-20(24)10-6-18/h5-12,28H,3-4,13-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530677 (CHEMBL4568709) Show SMILES CN(C)c1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H29FN2O2/c1-25(2)21-11-7-19(8-12-21)23(28)13-16-26(17-14-23)15-3-4-22(27)18-5-9-20(24)10-6-18/h5-12,28H,3-4,13-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864
					More data for this Ligand-Target Pair