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SMILES: OCC1(F)CN(Cc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)C1

InChI Key: InChIKey=XYLWIKXDDAOISX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 347752   

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM347752 (4-[[3-[3-[[3-Fluoro-3-(hydroxymethyl)azetidin-1-yl...) Show SMILES OCC1(F)CN(Cc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)C1 Show InChI InChI=1S/C21H19FN4O2/c22-21(14-27)12-26(13-21)11-16-2-1-3-17(8-16)20-19(10-24-25-20)28-18-6-4-15(9-23)5-7-18/h1-8,10,27H,11-14H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0360	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM347752 (4-[[3-[3-[[3-Fluoro-3-(hydroxymethyl)azetidin-1-yl...) Show SMILES OCC1(F)CN(Cc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)C1 Show InChI InChI=1S/C21H19FN4O2/c22-21(14-27)12-26(13-21)11-16-2-1-3-17(8-16)20-19(10-24-25-20)28-18-6-4-15(9-23)5-7-18/h1-8,10,27H,11-14H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0200	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...				US Patent US9790217 (2017) BindingDB Entry DOI: 10.7270/Q2K64M6M
					More data for this Ligand-Target Pair