BDBM50020035 CHEMBL3287849

SMILES: O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1

InChI Key: InChIKey=LNFPEBXLWIXQLF-STQMWFEESA-N

Data: 9 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50020035   

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
Plasminogen (Homo sapiens (Human))	BDBM50020035 (CHEMBL3287849) Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human full length Glu-plasminogen in buffer assessed as inhibition of interaction with fibrin preincubated for 15 mins followed b...				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				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50020035 (CHEMBL3287849) Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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))	BDBM50020035 (CHEMBL3287849) Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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 1A2 (Homo sapiens (Human))	BDBM50020035 (CHEMBL3287849) Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50020035 (CHEMBL3287849) Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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 2C19 (Homo sapiens (Human))	BDBM50020035 (CHEMBL3287849) Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50020035 (CHEMBL3287849) Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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))	BDBM50020035 (CHEMBL3287849) Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	280	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				3D Structure (crystal)
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50020035 (CHEMBL3287849) Show SMILES O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C15H18N2O2/c18-15-10-14(19-17-15)12-6-7-16-13(9-12)8-11-4-2-1-3-5-11/h1-5,10,12-13,16H,6-9H2,(H,17,18)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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