BDBM50411653 CHEMBL401777

SMILES: CCc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1

InChI Key: InChIKey=HGTGAIQIJPCZMF-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 = 50411653   

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))	BDBM50411653 (CHEMBL401777) Show SMILES CCc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1 Show InChI InChI=1S/C29H32N6OS/c1-5-26-31-25-17-20-11-13-35(14-12-21(20)19(3)27(25)36-26)15-16-37-29-33-32-28(34(29)4)23-7-6-8-24-22(23)10-9-18(2)30-24/h6-10,17H,5,11-16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	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))	BDBM50411653 (CHEMBL401777) Show SMILES CCc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1 Show InChI InChI=1S/C29H32N6OS/c1-5-26-31-25-17-20-11-13-35(14-12-21(20)19(3)27(25)36-26)15-16-37-29-33-32-28(34(29)4)23-7-6-8-24-22(23)10-9-18(2)30-24/h6-10,17H,5,11-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 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))	BDBM50411653 (CHEMBL401777) Show SMILES CCc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1 Show InChI InChI=1S/C29H32N6OS/c1-5-26-31-25-17-20-11-13-35(14-12-21(20)19(3)27(25)36-26)15-16-37-29-33-32-28(34(29)4)23-7-6-8-24-22(23)10-9-18(2)30-24/h6-10,17H,5,11-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.51E+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))	BDBM50411653 (CHEMBL401777) Show SMILES CCc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1 Show InChI InChI=1S/C29H32N6OS/c1-5-26-31-25-17-20-11-13-35(14-12-21(20)19(3)27(25)36-26)15-16-37-29-33-32-28(34(29)4)23-7-6-8-24-22(23)10-9-18(2)30-24/h6-10,17H,5,11-16H2,1-4H3	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	2.51E+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