BindingDB PrimarySearch

BDBM106203 US9695174, I-1

SMILES: COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](C)NC4=O

InChI Key:

Data: 9 IC50 1 Other

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 106203
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 1A (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	7.4	37
Millennium Pharmaceuticals, Inc. US Patent					Assay Description Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...				US Patent US9695174 (2017) BindingDB Entry DOI: 10.7270/Q2DN436B
Millennium Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	7.4	37
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...				US Patent US9695174 (2017) BindingDB Entry DOI: 10.7270/Q2DN436B
Millennium Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.4	37
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...				US Patent US9695174 (2017) BindingDB Entry DOI: 10.7270/Q2DN436B
Millennium Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.4	37
Millennium Pharmaceuticals, Inc. US Patent					Assay Description Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...				US Patent US9695174 (2017) BindingDB Entry DOI: 10.7270/Q2DN436B
Millennium Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. Curated by ChEMBL					Assay Description Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate assessed as Ko143 IC50 measured at 30 to 120 mins by microplate scinti...				Bioorg Med Chem Lett 26: 551-555 (2016) Article DOI: 10.1016/j.bmcl.2015.11.077 BindingDB Entry DOI: 10.7270/Q2HX1GPQ
Takeda Pharmaceuticals International Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	7.4	37
Millennium Pharmaceuticals, Inc. US Patent					Assay Description Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...				US Patent US9695174 (2017) BindingDB Entry DOI: 10.7270/Q2DN436B
Millennium Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	7.4	37
Millennium Pharmaceuticals, Inc. US Patent					Assay Description Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...				US Patent US9695174 (2017) BindingDB Entry DOI: 10.7270/Q2DN436B
Millennium Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
CYP3A-M (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.4	37
Millennium Pharmaceuticals, Inc. US Patent					Assay Description Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...				US Patent US9695174 (2017) BindingDB Entry DOI: 10.7270/Q2DN436B
Millennium Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. Curated by ChEMBL					Assay Description Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate measured at 30 to 120 mins by microplate scintillation and luminescenc...				Bioorg Med Chem Lett 26: 551-555 (2016) Article DOI: 10.1016/j.bmcl.2015.11.077 BindingDB Entry DOI: 10.7270/Q2HX1GPQ
Takeda Pharmaceuticals International Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM106203 (US9695174, I-1) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	37
Millennium Pharmaceuticals, Inc. US Patent					Assay Description Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...				US Patent US9695174 (2017) BindingDB Entry DOI: 10.7270/Q2DN436B
Millennium Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair