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SMILES: CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1

InChI Key: InChIKey=AJFLQDIECOEENG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50088753   

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(1A) dopamine receptor (RAT)	BDBM50088753 (5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1 Show InChI InChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards dopamine D1-like receptor in homogenate of caudateputamen tissue from rat brain				Bioorg Med Chem Lett 10: 1113-5 (2000) BindingDB Entry DOI: 10.7270/Q21N81NF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50088753 (5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1 Show InChI InChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2C receptor in homogenate of caudate putamen tissue from rat brain				Bioorg Med Chem Lett 10: 1113-5 (2000) BindingDB Entry DOI: 10.7270/Q21N81NF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50088753 (5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1 Show InChI InChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2A receptor in homogenate of caudate putamen tissue from rat brain				Bioorg Med Chem Lett 10: 1113-5 (2000) BindingDB Entry DOI: 10.7270/Q21N81NF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Mus musculus (Mouse))	BDBM50088753 (5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1 Show InChI InChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain				Bioorg Med Chem Lett 10: 1113-5 (2000) BindingDB Entry DOI: 10.7270/Q21N81NF
					More data for this Ligand-Target Pair