BDBM50416713 CHEMBL1224638

SMILES: CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2

InChI Key: InChIKey=SJJCRPJMKKRQSW-XLIONFOSSA-N

Data: 6 KI  3 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 9 hits for monomerid = 50416713   

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))	BDBM50416713 (CHEMBL1224638) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay				Bioorg Med Chem Lett 20: 5491-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.073 BindingDB Entry DOI: 10.7270/Q2R78GFH
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50416713 (CHEMBL1224638) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay				Bioorg Med Chem Lett 20: 5491-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.073 BindingDB Entry DOI: 10.7270/Q2R78GFH
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50416713 (CHEMBL1224638) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay				Bioorg Med Chem Lett 20: 5491-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.073 BindingDB Entry DOI: 10.7270/Q2R78GFH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50416713 (CHEMBL1224638) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank 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 Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor by GTPgammaS binding assay				Bioorg Med Chem Lett 20: 5491-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.073 BindingDB Entry DOI: 10.7270/Q2R78GFH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50416713 (CHEMBL1224638) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1	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 Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor by GTPgammaS binding assay				Bioorg Med Chem Lett 20: 5491-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.073 BindingDB Entry DOI: 10.7270/Q2R78GFH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50416713 (CHEMBL1224638) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor by GTPgammaS binding assay				Bioorg Med Chem Lett 20: 5491-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.073 BindingDB Entry DOI: 10.7270/Q2R78GFH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50416713 (CHEMBL1224638) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1	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 Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 20: 5491-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.073 BindingDB Entry DOI: 10.7270/Q2R78GFH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50416713 (CHEMBL1224638) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1	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	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 20: 5491-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.073 BindingDB Entry DOI: 10.7270/Q2R78GFH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50416713 (CHEMBL1224638) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H24N2O2S/c1-14(2)15-3-9-19(10-4-15)25(23,24)22-18-7-5-16(6-8-18)20-11-17(20)12-21-13-20/h3-10,14,17,21-22H,11-13H2,1-2H3/t17-,20+/m1/s1	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	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 20: 5491-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.073 BindingDB Entry DOI: 10.7270/Q2R78GFH
					More data for this Ligand-Target Pair