BDBM50530682 CHEMBL4436241

SMILES: OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=IROBXMJJTSKRFQ-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 = 50530682   

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))	BDBM50530682 (CHEMBL4436241) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-12-16(13-18(23)14-17)21(27)7-10-25(11-8-21)9-1-2-20(26)15-3-5-19(24)6-4-15/h3-6,12-14,27H,1-2,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.447	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))	BDBM50530682 (CHEMBL4436241) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-12-16(13-18(23)14-17)21(27)7-10-25(11-8-21)9-1-2-20(26)15-3-5-19(24)6-4-15/h3-6,12-14,27H,1-2,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.447	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))	BDBM50530682 (CHEMBL4436241) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-12-16(13-18(23)14-17)21(27)7-10-25(11-8-21)9-1-2-20(26)15-3-5-19(24)6-4-15/h3-6,12-14,27H,1-2,7-11H2	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	0.537	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))	BDBM50530682 (CHEMBL4436241) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-12-16(13-18(23)14-17)21(27)7-10-25(11-8-21)9-1-2-20(26)15-3-5-19(24)6-4-15/h3-6,12-14,27H,1-2,7-11H2	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	0.537	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