BDBM50411710 CHEMBL272546

SMILES: CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1

InChI Key: InChIKey=UALAMQRWRIVLLQ-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 = 50411710   

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))	BDBM50411710 (CHEMBL272546) Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1 Show InChI InChI=1S/C23H28N6O2S/c1-4-20-25-18-12-16-6-9-29(10-7-17(16)13-19(18)31-20)8-5-11-32-23-27-26-22(28(23)3)21-15(2)24-14-30-21/h12-14H,4-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay				Bioorg Med Chem Lett 18: 901-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.066 BindingDB Entry DOI: 10.7270/Q2MK6F32
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50411710 (CHEMBL272546) Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1 Show InChI InChI=1S/C23H28N6O2S/c1-4-20-25-18-12-16-6-9-29(10-7-17(16)13-19(18)31-20)8-5-11-32-23-27-26-22(28(23)3)21-15(2)24-14-30-21/h12-14H,4-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor by GTPgammaS binding assay				Bioorg Med Chem Lett 18: 901-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.066 BindingDB Entry DOI: 10.7270/Q2MK6F32
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50411710 (CHEMBL272546) Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1 Show InChI InChI=1S/C23H28N6O2S/c1-4-20-25-18-12-16-6-9-29(10-7-17(16)13-19(18)31-20)8-5-11-32-23-27-26-22(28(23)3)21-15(2)24-14-30-21/h12-14H,4-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor by FLIPR assay				Bioorg Med Chem Lett 18: 901-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.066 BindingDB Entry DOI: 10.7270/Q2MK6F32
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50411710 (CHEMBL272546) Show SMILES CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1 Show InChI InChI=1S/C23H28N6O2S/c1-4-20-25-18-12-16-6-9-29(10-7-17(16)13-19(18)31-20)8-5-11-32-23-27-26-22(28(23)3)21-15(2)24-14-30-21/h12-14H,4-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]Dofetilide from human ERG				Bioorg Med Chem Lett 18: 901-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.066 BindingDB Entry DOI: 10.7270/Q2MK6F32
					More data for this Ligand-Target Pair