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SMILES: Nc1nc2cc3CCN(Cc4cnc[nH]4)CCc3cc2s1

InChI Key: InChIKey=HCQFHRLKBNOPPR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50426676   

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))	BDBM50426676 (CHEMBL2326470) Show SMILES Nc1nc2cc3CCN(Cc4cnc[nH]4)CCc3cc2s1 Show InChI InChI=1S/C15H17N5S/c16-15-19-13-5-10-1-3-20(8-12-7-17-9-18-12)4-2-11(10)6-14(13)21-15/h5-7,9H,1-4,8H2,(H2,16,19)(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50426676 (CHEMBL2326470) Show SMILES Nc1nc2cc3CCN(Cc4cnc[nH]4)CCc3cc2s1 Show InChI InChI=1S/C15H17N5S/c16-15-19-13-5-10-1-3-20(8-12-7-17-9-18-12)4-2-11(10)6-14(13)21-15/h5-7,9H,1-4,8H2,(H2,16,19)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426676 (CHEMBL2326470) Show SMILES Nc1nc2cc3CCN(Cc4cnc[nH]4)CCc3cc2s1 Show InChI InChI=1S/C15H17N5S/c16-15-19-13-5-10-1-3-20(8-12-7-17-9-18-12)4-2-11(10)6-14(13)21-15/h5-7,9H,1-4,8H2,(H2,16,19)(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human D2 dopamine receptor expressed in CHO cell membrane by GTPgammaS-binding assay				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair