BDBM50459192 CHEMBL4205724

SMILES: COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1

InChI Key: InChIKey=FHGKXWSNTAZCCJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50459192   

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 2D6 (Homo sapiens (Human))	BDBM50459192 (CHEMBL4205724) Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cistim Leuven vzw Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 61: 8390-8401 (2018) Article DOI: 10.1021/acs.jmedchem.8b00913 BindingDB Entry DOI: 10.7270/Q2Z03BSW
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50459192 (CHEMBL4205724) Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cistim Leuven vzw Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 61: 8390-8401 (2018) Article DOI: 10.1021/acs.jmedchem.8b00913 BindingDB Entry DOI: 10.7270/Q2Z03BSW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50459192 (CHEMBL4205724) Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Cistim Leuven vzw Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 61: 8390-8401 (2018) Article DOI: 10.1021/acs.jmedchem.8b00913 BindingDB Entry DOI: 10.7270/Q2Z03BSW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50459192 (CHEMBL4205724) Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cistim Leuven vzw Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 61: 8390-8401 (2018) Article DOI: 10.1021/acs.jmedchem.8b00913 BindingDB Entry DOI: 10.7270/Q2Z03BSW
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50459192 (CHEMBL4205724) Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cistim Leuven vzw Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 61: 8390-8401 (2018) Article DOI: 10.1021/acs.jmedchem.8b00913 BindingDB Entry DOI: 10.7270/Q2Z03BSW
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50459192 (CHEMBL4205724) Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cistim Leuven vzw Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 61: 8390-8401 (2018) Article DOI: 10.1021/acs.jmedchem.8b00913 BindingDB Entry DOI: 10.7270/Q2Z03BSW
					More data for this Ligand-Target Pair