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PubMed code 26469557

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)		BDBM50499513
PNG
(CHEMBL4299436)
Show SMILES [H][C@]1(C[C@@](C)(N)[C@@H](O)[C@@H](C)O1)O[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1Oc1c2Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]3([H])c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O)[C@]1([H])NC(=O)[C@]([H])(NC3=O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2[C@@H](NC1=O)C(O)=O |r|
Show InChI InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35+,42+,44-,46-,47-,48-,49-,50+,51-,52-,53+,54-,56+,57+,65-,66-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.27E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antibacterial activity against low level vancomycin-resistant Enterococcus faecalis ATCC 51299 by plate reader analysis

J Nat Prod 78: 2748-53 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00721
BindingDB Entry DOI: 10.7270/Q2M61P8H
More data for this
Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)		BDBM50499514
PNG
(CHEMBL3740164)
Show SMILES [#6]-[#6](-[#6])-[#6](=O)-[#6]-1=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]2-[#8]C([#6])([#6])[#6]-[#6]3-[#8]C23[#6]-1=O |c:5,t:13|
Show InChI InChI=1S/C20H26O5/c1-10(2)7-8-12-16(22)14(15(21)11(3)4)17(23)20-13(24-20)9-19(5,6)25-18(12)20/h7,11,13,22H,8-9H2,1-6H3
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.08E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antibacterial activity against low level vancomycin-resistant Enterococcus faecalis ATCC 51299 by plate reader analysis

J Nat Prod 78: 2748-53 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00721
BindingDB Entry DOI: 10.7270/Q2M61P8H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%