BDBM50530681 CHEMBL4529368

SMILES: OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl

InChI Key: InChIKey=OEJCRLZCGDBNPH-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 = 50530681   

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))	BDBM50530681 (CHEMBL4529368) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-16-5-8-19(23)18(14-16)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	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))	BDBM50530681 (CHEMBL4529368) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-16-5-8-19(23)18(14-16)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	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))	BDBM50530681 (CHEMBL4529368) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-16-5-8-19(23)18(14-16)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2	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	1	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))	BDBM50530681 (CHEMBL4529368) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-16-5-8-19(23)18(14-16)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2	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	1	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