BDBM50530693 CHEMBL422334

SMILES: COC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=UDJZPTLAQVDZMH-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 = 50530693   

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))	BDBM50530693 (CHEMBL422334) Show SMILES COC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c1-27-22(18-6-8-19(23)9-7-18)12-15-25(16-13-22)14-2-3-21(26)17-4-10-20(24)11-5-17/h4-11H,2-3,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	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))	BDBM50530693 (CHEMBL422334) Show SMILES COC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c1-27-22(18-6-8-19(23)9-7-18)12-15-25(16-13-22)14-2-3-21(26)17-4-10-20(24)11-5-17/h4-11H,2-3,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	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))	BDBM50530693 (CHEMBL422334) Show SMILES COC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c1-27-22(18-6-8-19(23)9-7-18)12-15-25(16-13-22)14-2-3-21(26)17-4-10-20(24)11-5-17/h4-11H,2-3,12-16H2,1H3	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	1.90	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))	BDBM50530693 (CHEMBL422334) Show SMILES COC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c1-27-22(18-6-8-19(23)9-7-18)12-15-25(16-13-22)14-2-3-21(26)17-4-10-20(24)11-5-17/h4-11H,2-3,12-16H2,1H3	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	1.90	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