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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50077777'   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50077777
PNG
(CHEMBL3416946)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C178H271N55O44S7/c1-12-94(10)142-175(277)233-62-33-48-133(233)171(273)221-124(76-139(243)244)160(262)218-121(73-134(184)236)157(259)219-123(75-138(241)242)159(261)206-108(43-24-28-57-182)151(253)224-129-85-282-280-83-127(164(266)208-106(41-22-26-55-180)147(249)214-117(68-97-49-51-101(235)52-50-97)162(264)230-140(92(6)7)172(274)211-113(143(186)245)66-95-34-15-13-16-35-95)226-154(256)118(69-98-77-198-104-39-20-19-38-102(98)104)215-148(250)105(40-21-25-54-179)205-155(257)119(70-99-78-193-88-200-99)217-156(258)120(71-100-79-194-89-201-100)216-149(251)110(45-30-59-196-177(189)190)207-163(265)125(81-234)222-167(269)130-86-283-284-87-131(169(271)231-142)225-150(252)107(42-23-27-56-181)203-146(248)109(44-29-58-195-176(187)188)204-152(254)111(53-63-278-11)209-153(255)116(67-96-36-17-14-18-37-96)202-136(238)80-199-145(247)114(64-90(2)3)212-166(268)126(223-144(246)103(183)72-137(239)240)82-279-281-84-128(227-168(129)270)165(267)210-112(46-31-60-197-178(191)192)174(276)232-61-32-47-132(232)170(272)220-122(74-135(185)237)158(260)213-115(65-91(4)5)161(263)229-141(93(8)9)173(275)228-130/h13-20,34-39,49-52,77-79,88-94,103,105-133,140-142,198,234-235H,12,21-33,40-48,53-76,80-87,179-183H2,1-11H3,(H2,184,236)(H2,185,237)(H2,186,245)(H,193,200)(H,194,201)(H,199,247)(H,202,238)(H,203,248)(H,204,254)(H,205,257)(H,206,261)(H,207,265)(H,208,266)(H,209,255)(H,210,267)(H,211,274)(H,212,268)(H,213,260)(H,214,249)(H,215,250)(H,216,251)(H,217,258)(H,218,262)(H,219,259)(H,220,272)(H,221,273)(H,222,269)(H,223,246)(H,224,253)(H,225,252)(H,226,256)(H,227,270)(H,228,275)(H,229,263)(H,230,264)(H,231,271)(H,239,240)(H,241,242)(H,243,244)(H4,187,188,195)(H4,189,190,196)(H4,191,192,197)/t94-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,140-,141-,142-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair