BDBM50020036 CHEMBL3287851

SMILES: CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1

InChI Key: InChIKey=ORLPPUHANSFJCS-VHSXEESVSA-N

Data: 9 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 = 50020036   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50020036 (CHEMBL3287851) Show SMILES CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r| Show InChI InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/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	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 5: 538-43 (2014) Article DOI: 10.1021/ml400526d BindingDB Entry DOI: 10.7270/Q2QJ7JV4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50020036 (CHEMBL3287851) Show SMILES CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r| Show InChI InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 5: 538-43 (2014) Article DOI: 10.1021/ml400526d BindingDB Entry DOI: 10.7270/Q2QJ7JV4
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50020036 (CHEMBL3287851) Show SMILES CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r| Show InChI InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				ACS Med Chem Lett 5: 538-43 (2014) Article DOI: 10.1021/ml400526d BindingDB Entry DOI: 10.7270/Q2QJ7JV4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50020036 (CHEMBL3287851) Show SMILES CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r| Show InChI InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/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	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 5: 538-43 (2014) Article DOI: 10.1021/ml400526d BindingDB Entry DOI: 10.7270/Q2QJ7JV4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50020036 (CHEMBL3287851) Show SMILES CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r| Show InChI InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/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+9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				ACS Med Chem Lett 5: 538-43 (2014) Article DOI: 10.1021/ml400526d BindingDB Entry DOI: 10.7270/Q2QJ7JV4
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50020036 (CHEMBL3287851) Show SMILES CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r| Show InChI InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				ACS Med Chem Lett 5: 538-43 (2014) Article DOI: 10.1021/ml400526d BindingDB Entry DOI: 10.7270/Q2QJ7JV4
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50020036 (CHEMBL3287851) Show SMILES CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r| Show InChI InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA				ACS Med Chem Lett 5: 538-43 (2014) Article DOI: 10.1021/ml400526d BindingDB Entry DOI: 10.7270/Q2QJ7JV4
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50020036 (CHEMBL3287851) Show SMILES CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r| Show InChI InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA				ACS Med Chem Lett 5: 538-43 (2014) Article DOI: 10.1021/ml400526d BindingDB Entry DOI: 10.7270/Q2QJ7JV4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50020036 (CHEMBL3287851) Show SMILES CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r| Show InChI InChI=1S/C13H22N2O2/c1-13(2,3)8-10-6-9(4-5-14-10)11-7-12(16)15-17-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16)/t9-,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				ACS Med Chem Lett 5: 538-43 (2014) Article DOI: 10.1021/ml400526d BindingDB Entry DOI: 10.7270/Q2QJ7JV4
					More data for this Ligand-Target Pair