BDBM50215414 CHEMBL1096024::MR-20814

SMILES: COc1ccc2C(=O)C(CC3=CCNC=C3)=C(N)c2c1

InChI Key: InChIKey=FUPJASKVSALSLR-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50215414   

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 19A1 (Homo sapiens (Human))	BDBM50215414 (CHEMBL1096024 | MR-20814) Show SMILES COc1ccc2C(=O)C(CC3=CCNC=C3)=C(N)c2c1 |c:14,t:10,16| Show InChI InChI=1S/C16H16N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-6,9,18H,7-8,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition constant for human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50215414 (CHEMBL1096024 | MR-20814) Show SMILES COc1ccc2C(=O)C(CC3=CCNC=C3)=C(N)c2c1 |c:14,t:10,16| Show InChI InChI=1S/C16H16N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-6,9,18H,7-8,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre d'Etudes et de Recherche sur le Médicament de Normandie Curated by ChEMBL					Assay Description Inhibition of human aromatase cytochrome P450 19A1 activity				Bioorg Med Chem Lett 8: 1041-4 (1999) BindingDB Entry DOI: 10.7270/Q2445KM7
					More data for this Ligand-Target Pair