BDBM50530687 CHEMBL4472585

SMILES: OC1(CCN(CCCC(=O)c2ccccc2Cl)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=ACWQOQSFTNXQMA-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 = 50530687   

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))	BDBM50530687 (CHEMBL4472585) Show SMILES OC1(CCN(CCCC(=O)c2ccccc2Cl)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2NO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	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))	BDBM50530687 (CHEMBL4472585) Show SMILES OC1(CCN(CCCC(=O)c2ccccc2Cl)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2NO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	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))	BDBM50530687 (CHEMBL4472585) Show SMILES OC1(CCN(CCCC(=O)c2ccccc2Cl)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2NO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2	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	3.40	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))	BDBM50530687 (CHEMBL4472585) Show SMILES OC1(CCN(CCCC(=O)c2ccccc2Cl)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2NO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2	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	3.40	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