BDBM50321318 CHEMBL4166415

SMILES: Nc1oncc1-c1ccccc1

InChI Key: InChIKey=HFTKSZSXETZARM-UHFFFAOYSA-N

Data: 6 IC50  1 EC50

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 7 hits for monomerid = 50321318   

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 2C19 (Homo sapiens (Human))	BDBM50321318 (CHEMBL4166415) Show SMILES Nc1oncc1-c1ccccc1 Show InChI InChI=1S/C9H8N2O/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50321318 (CHEMBL4166415) Show SMILES Nc1oncc1-c1ccccc1 Show InChI InChI=1S/C9H8N2O/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321318 (CHEMBL4166415) Show SMILES Nc1oncc1-c1ccccc1 Show InChI InChI=1S/C9H8N2O/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO2 assessed as decrease in conversion of L-tryptophan to N-formylkynurenine preincubated for 5 mins followed by 0.2...				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50321318 (CHEMBL4166415) Show SMILES Nc1oncc1-c1ccccc1 Show InChI InChI=1S/C9H8N2O/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50321318 (CHEMBL4166415) Show SMILES Nc1oncc1-c1ccccc1 Show InChI InChI=1S/C9H8N2O/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50321318 (CHEMBL4166415) Show SMILES Nc1oncc1-c1ccccc1 Show InChI InChI=1S/C9H8N2O/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50321318 (CHEMBL4166415) Show SMILES Nc1oncc1-c1ccccc1 Show InChI InChI=1S/C9H8N2O/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay				ACS Med Chem Lett 9: 417-421 (2018) Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G
					More data for this Ligand-Target Pair