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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kallikrein-4' and Ligand = 'BDBM50507483'   
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
Kallikrein-4


(Homo sapiens (Human))		BDBM50507483
PNG
(CHEMBL4530379)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2 |r|
Show InChI InChI=1S/C136H220N46O44S6/c1-10-66(7)105-130(223)170-77(43-64(3)4)118(211)164-72(23-12-15-35-137)113(206)162-73(24-13-16-36-138)116(209)174-87-59-228-229-60-88-125(218)161-71(26-18-38-147-134(141)142)108(201)150-50-97(190)158-79(45-94(140)187)109(202)151-51-96(189)157-78(44-69-31-33-70(186)34-32-69)119(212)173-86-58-227-231-62-90(176-121(214)82(48-103(198)199)169-123(216)85(57-185)171-120(213)81(47-102(196)197)168-115(208)76(28-20-40-149-136(145)146)163-114(207)75(165-124(87)217)27-19-39-148-135(143)144)132(225)181-41-21-29-92(181)127(220)155-49-95(188)156-68(9)107(200)172-89(126(219)180-106(67(8)11-2)131(224)175-88)61-230-232-63-91(133(226)182-42-22-30-93(182)128(221)166-74(117(210)179-105)25-14-17-37-139)177-129(222)104(65(5)6)178-100(193)54-152-110(203)80(46-101(194)195)167-122(215)84(56-184)160-99(192)52-153-111(204)83(55-183)159-98(191)53-154-112(86)205/h31-34,64-68,71-93,104-106,183-186H,10-30,35-63,137-139H2,1-9H3,(H2,140,187)(H,150,201)(H,151,202)(H,152,203)(H,153,204)(H,154,205)(H,155,220)(H,156,188)(H,157,189)(H,158,190)(H,159,191)(H,160,192)(H,161,218)(H,162,206)(H,163,207)(H,164,211)(H,165,217)(H,166,221)(H,167,215)(H,168,208)(H,169,216)(H,170,223)(H,171,213)(H,172,200)(H,173,212)(H,174,209)(H,175,224)(H,176,214)(H,177,222)(H,178,193)(H,179,210)(H,180,219)(H,194,195)(H,196,197)(H,198,199)(H4,141,142,147)(H4,143,144,148)(H4,145,146,149)/t66-,67-,68-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,104-,105-,106-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.60n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of KLK4 (unknown origin) expressed in sf9 cells using Ac-FVQR-pNA as substrate preincubated for 30 mins followed by substrate addition and...

ACS Med Chem Lett 9: 1258-1262 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00422
BindingDB Entry DOI: 10.7270/Q2Q81HCD
More data for this
Ligand-Target Pair