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SMILES: C[C@]12CC[C@H]3[C@@H](C=C(C#N)C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1

InChI Key: InChIKey=SZVXNSISQOXWRA-JTWSNDCGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 314737   
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))		BDBM314737
PNG
(US9611270, Example 37)
Show SMILES C[C@]12CC[C@H]3[C@@H](C=C(C#N)C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |r,c:23,t:6|
Show InChI InChI=1S/C25H30N2O/c1-24-10-8-22-19(21(24)6-5-20(24)16-4-3-11-27-15-16)12-17(14-26)23-13-18(28)7-9-25(22,23)2/h3-5,11-12,15,18-19,21-23,28H,6-10,13H2,1-2H3/t18-,19-,21-,22-,23?,24+,25+/m0/s1
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US Patent
n/an/a 244n/an/an/an/an/an/a



UNIVERSITY OF KANSAS

US Patent


Assay Description
Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...

US Patent US9611270 (2017)


BindingDB Entry DOI: 10.7270/Q2CV4KTZ
More data for this
Ligand-Target Pair