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SMILES: Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncc2ccccc12

InChI Key: InChIKey=JUUVZGQMKDDVGB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 208942   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM208942
PNG
(US9266880, 1)
Show SMILES Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncc2ccccc12
Show InChI InChI=1S/C21H13FN4/c22-15-5-7-16(8-6-15)26-21-20(13-25-26)18(9-10-24-21)19-12-23-11-14-3-1-2-4-17(14)19/h1-13H
PDB

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US Patent
n/an/a 128n/an/an/an/a7.24



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...

US Patent US9266880 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H69
More data for this
Ligand-Target Pair