BDBM50123012 CHEMBL3623217

SMILES: [H][C@@]12C[C@H](C#N)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Sc3ccccc3)C(=O)CC[C@]12C

InChI Key: InChIKey=GPIRVQGMLLEUJS-WDYHNDBASA-N

Data: 2 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 = 50123012   

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))	BDBM50123012 (CHEMBL3623217) Show SMILES [H][C@@]12C[C@H](C#N)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Sc3ccccc3)C(=O)CC[C@]12C |r,c:20| Show InChI InChI=1S/C26H31NO2S/c1-25-13-11-22(28)23(30-17-6-4-3-5-7-17)20(25)9-8-18-19(25)10-12-26(2)21(18)14-16(15-27)24(26)29/h3-7,16,18-19,21,24,29H,8-14H2,1-2H3/t16-,18-,19+,21+,24+,25-,26+/m1/s1	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	169	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Upstate Medical University Curated by ChEMBL					Assay Description Inhibition of human placental microsomal aromatase using [1beta-3H] androstenedione as substrate assessed as tritiated H2O release after 5 mins by be...				J Med Chem 59: 5131-48 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D2S
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50123012 (CHEMBL3623217) Show SMILES [H][C@@]12C[C@H](C#N)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Sc3ccccc3)C(=O)CC[C@]12C |r,c:20| Show InChI InChI=1S/C26H31NO2S/c1-25-13-11-22(28)23(30-17-6-4-3-5-7-17)20(25)9-8-18-19(25)10-12-26(2)21(18)14-16(15-27)24(26)29/h3-7,16,18-19,21,24,29H,8-14H2,1-2H3/t16-,18-,19+,21+,24+,25-,26+/m1/s1	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	170	n/a	n/a	n/a	n/a	n/a	n/a
American University of Ras Al Khaimah Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin)				Eur J Med Chem 102: 375-86 (2015) BindingDB Entry DOI: 10.7270/Q2ZC84Q6
					More data for this Ligand-Target Pair