BDBM86594 ZINC 4868730, 70

SMILES: Clc1ccc(Cl)c(c1)-c1ccc(C[NH2+]C2CC2)o1

InChI Key: InChIKey=VKAMNIMJPFNFIA-UHFFFAOYSA-O

Data: 2 KI

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 2 hits for monomerid = 86594   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM86594 (ZINC 4868730, 70) Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(C[NH2+]C2CC2)o1 Show InChI InChI=1S/C14H13Cl2NO/c15-9-1-5-13(16)12(7-9)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.71E+3	-7.51	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86594 (ZINC 4868730, 70) Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(C[NH2+]C2CC2)o1 Show InChI InChI=1S/C14H13Cl2NO/c15-9-1-5-13(16)12(7-9)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.61E+3	-6.99	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair