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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50007668   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Steroidogenic factor 1


(Homo sapiens (Human))		BDBM50511469
PNG
(CHEMBL4515639)
Show SMILES [H][C@@]12CC(CCCCCCCCCC(=O)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)=C(c3ccccc3)[C@@]1(CC[C@@H]2NS(N)(=O)=O)C(=C)c1ccccc1 |r,t:45|
Show InChI InChI=1S/C52H53N3O8S/c1-33(34-15-10-7-11-16-34)51-28-27-45(55-64(53,60)61)44(51)29-36(49(51)35-17-12-8-13-18-35)19-9-5-3-2-4-6-14-20-48(58)54-37-21-24-41-40(30-37)50(59)63-52(41)42-25-22-38(56)31-46(42)62-47-32-39(57)23-26-43(47)52/h7-8,10-13,15-18,21-26,30-32,44-45,55-57H,1-6,9,14,19-20,27-29H2,(H,54,58)(H2,53,60,61)/t44-,45-,51-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 12n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to SF1 LBD (218 to 461 residues) (unknown origin) expressed in Escherichia coli BL21 pLysS measured after overnight incubation by fl...

ACS Med Chem Lett 11: 365-370 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00442
BindingDB Entry DOI: 10.7270/Q2K35Z0D
More data for this
Ligand-Target Pair