Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50164175' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164175
(CHEMBL3800477)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])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc4ccccc24)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/C178H272N52O45S7/c1-13-94(10)141-175(275)230-66-35-52-132(230)170(270)216-123(79-138(241)242)159(259)213-120(76-133(184)234)156(256)214-122(78-137(239)240)158(258)203-108(47-25-29-61-182)150(250)220-128-86-280-278-84-126(163(263)205-106(45-23-27-59-180)147(247)211-117(72-98-53-55-102(233)56-54-98)161(261)226-139(92(6)7)171(271)208-113(143(186)243)70-96-36-16-14-17-37-96)222-154(254)118(73-100-42-30-41-99-40-20-21-43-103(99)100)212-148(248)105(44-22-26-58-179)202-155(255)119(74-101-80-193-89-198-101)217-173(273)142(95(11)232)228-152(252)110(49-32-63-195-177(189)190)204-162(262)124(82-231)218-166(266)129-87-281-282-88-130(168(268)227-141)221-149(249)107(46-24-28-60-181)200-146(246)109(48-31-62-194-176(187)188)201-151(251)111(57-67-276-12)206-153(253)116(71-97-38-18-15-19-39-97)199-135(236)81-197-145(245)114(68-90(2)3)209-165(265)125(219-144(244)104(183)75-136(237)238)83-277-279-85-127(223-167(128)267)164(264)207-112(50-33-64-196-178(191)192)174(274)229-65-34-51-131(229)169(269)215-121(77-134(185)235)157(257)210-115(69-91(4)5)160(260)225-140(93(8)9)172(272)224-129/h14-21,30,36-43,53-56,80,89-95,104-132,139-142,231-233H,13,22-29,31-35,44-52,57-79,81-88,179-183H2,1-12H3,(H2,184,234)(H2,185,235)(H2,186,243)(H,193,198)(H,197,245)(H,199,236)(H,200,246)(H,201,251)(H,202,255)(H,203,258)(H,204,262)(H,205,263)(H,206,253)(H,207,264)(H,208,271)(H,209,265)(H,210,257)(H,211,247)(H,212,248)(H,213,259)(H,214,256)(H,215,269)(H,216,270)(H,217,273)(H,218,266)(H,219,244)(H,220,250)(H,221,249)(H,222,254)(H,223,267)(H,224,272)(H,225,260)(H,226,261)(H,227,268)(H,228,252)(H,237,238)(H,239,240)(H,241,242)(H4,187,188,194)(H4,189,190,195)(H4,191,192,196)/t94-,95+,104-,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-,139-,140-,141-,142-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164175
(CHEMBL3800477)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])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc4ccccc24)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/C178H272N52O45S7/c1-13-94(10)141-175(275)230-66-35-52-132(230)170(270)216-123(79-138(241)242)159(259)213-120(76-133(184)234)156(256)214-122(78-137(239)240)158(258)203-108(47-25-29-61-182)150(250)220-128-86-280-278-84-126(163(263)205-106(45-23-27-59-180)147(247)211-117(72-98-53-55-102(233)56-54-98)161(261)226-139(92(6)7)171(271)208-113(143(186)243)70-96-36-16-14-17-37-96)222-154(254)118(73-100-42-30-41-99-40-20-21-43-103(99)100)212-148(248)105(44-22-26-58-179)202-155(255)119(74-101-80-193-89-198-101)217-173(273)142(95(11)232)228-152(252)110(49-32-63-195-177(189)190)204-162(262)124(82-231)218-166(266)129-87-281-282-88-130(168(268)227-141)221-149(249)107(46-24-28-60-181)200-146(246)109(48-31-62-194-176(187)188)201-151(251)111(57-67-276-12)206-153(253)116(71-97-38-18-15-19-39-97)199-135(236)81-197-145(245)114(68-90(2)3)209-165(265)125(219-144(244)104(183)75-136(237)238)83-277-279-85-127(223-167(128)267)164(264)207-112(50-33-64-196-178(191)192)174(274)229-65-34-51-131(229)169(269)215-121(77-134(185)235)157(257)210-115(69-91(4)5)160(260)225-140(93(8)9)172(272)224-129/h14-21,30,36-43,53-56,80,89-95,104-132,139-142,231-233H,13,22-29,31-35,44-52,57-79,81-88,179-183H2,1-12H3,(H2,184,234)(H2,185,235)(H2,186,243)(H,193,198)(H,197,245)(H,199,236)(H,200,246)(H,201,251)(H,202,255)(H,203,258)(H,204,262)(H,205,263)(H,206,253)(H,207,264)(H,208,271)(H,209,265)(H,210,257)(H,211,247)(H,212,248)(H,213,259)(H,214,256)(H,215,269)(H,216,270)(H,217,273)(H,218,266)(H,219,244)(H,220,250)(H,221,249)(H,222,254)(H,223,267)(H,224,272)(H,225,260)(H,226,261)(H,227,268)(H,228,252)(H,237,238)(H,239,240)(H,241,242)(H4,187,188,194)(H4,189,190,195)(H4,191,192,196)/t94-,95+,104-,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-,139-,140-,141-,142-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
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