BDBM50411649 CHEMBL257525

SMILES: CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(oc3c(C)c2CC1)C(F)(F)F

InChI Key: InChIKey=ILAPINSYTQOSTH-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 = 50411649   

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))	BDBM50411649 (CHEMBL257525) Show SMILES CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(oc3c(C)c2CC1)C(F)(F)F |w:1.0| Show InChI InChI=1S/C30H31F3N6OS/c1-17-8-9-22-23(6-5-7-24(22)34-17)27-36-37-29(38(27)4)41-15-12-18(2)39-13-10-20-16-25-26(19(3)21(20)11-14-39)40-28(35-25)30(31,32)33/h5-9,16,18H,10-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	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))	BDBM50411649 (CHEMBL257525) Show SMILES CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(oc3c(C)c2CC1)C(F)(F)F |w:1.0| Show InChI InChI=1S/C30H31F3N6OS/c1-17-8-9-22-23(6-5-7-24(22)34-17)27-36-37-29(38(27)4)41-15-12-18(2)39-13-10-20-16-25-26(19(3)21(20)11-14-39)40-28(35-25)30(31,32)33/h5-9,16,18H,10-15H2,1-4H3	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))	BDBM50411649 (CHEMBL257525) Show SMILES CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(oc3c(C)c2CC1)C(F)(F)F |w:1.0| Show InChI InChI=1S/C30H31F3N6OS/c1-17-8-9-22-23(6-5-7-24(22)34-17)27-36-37-29(38(27)4)41-15-12-18(2)39-13-10-20-16-25-26(19(3)21(20)11-14-39)40-28(35-25)30(31,32)33/h5-9,16,18H,10-15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+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 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))	BDBM50411649 (CHEMBL257525) Show SMILES CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(oc3c(C)c2CC1)C(F)(F)F |w:1.0| Show InChI InChI=1S/C30H31F3N6OS/c1-17-8-9-22-23(6-5-7-24(22)34-17)27-36-37-29(38(27)4)41-15-12-18(2)39-13-10-20-16-25-26(19(3)21(20)11-14-39)40-28(35-25)30(31,32)33/h5-9,16,18H,10-15H2,1-4H3	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	1.00E+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