Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50002554 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)) | BDBM50051073
(CHEMBL3318132)Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Peptides International, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in xenopus oocytes at -80 mV holding potential by two-electrode voltage-clamp method |
Bioorg Med Chem 26: 2738-2758 (2018)
Article DOI: 10.1016/j.bmc.2017.09.029
BindingDB Entry DOI: 10.7270/Q2Q52S8Q |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50459974
(CHEMBL4228162)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N3)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C170H271N53O46S6/c1-13-86(9)133(136(181)237)221-147(248)105(50-52-126(178)230)200-149(250)109(64-91-70-188-95-39-20-18-37-93(91)95)204-142(243)99(43-24-29-55-173)197-159(260)120-79-273-274-81-122-163(264)217-121-80-272-270-77-118(192-129(233)69-176)158(259)202-106(61-83(3)4)138(239)190-72-130(234)219-134(87(10)14-2)166(267)208-108(63-90-35-16-15-17-36-90)148(249)194-97(41-22-27-53-171)139(240)191-88(11)137(238)214-119(161(262)209-113(67-128(180)232)168(269)223-60-34-48-124(223)164(265)213-117(76-227)156(257)206-111(66-127(179)231)151(252)207-112(68-131(235)236)152(253)199-104(145(246)215-122)49-51-125(177)229)78-271-275-82-123(218-165(266)132(85(7)8)220-153(254)107(62-84(5)6)203-141(242)98(42-23-28-54-172)195-154(255)114(73-224)211-157(258)116(75-226)210-144(245)100(198-160(121)261)44-25-30-56-174)162(263)212-115(74-225)155(256)196-102(46-32-58-186-169(182)183)140(241)193-101(45-26-31-57-175)146(247)222-135(89(12)228)167(268)201-103(47-33-59-187-170(184)185)143(244)205-110(150(251)216-120)65-92-71-189-96-40-21-19-38-94(92)96/h15-21,35-40,70-71,83-89,97-124,132-135,188-189,224-228H,13-14,22-34,41-69,72-82,171-176H2,1-12H3,(H2,177,229)(H2,178,230)(H2,179,231)(H2,180,232)(H2,181,237)(H,190,239)(H,191,240)(H,192,233)(H,193,241)(H,194,249)(H,195,255)(H,196,256)(H,197,260)(H,198,261)(H,199,253)(H,200,250)(H,201,268)(H,202,259)(H,203,242)(H,204,243)(H,205,244)(H,206,257)(H,207,252)(H,208,267)(H,209,262)(H,210,245)(H,211,258)(H,212,263)(H,213,265)(H,214,238)(H,215,246)(H,216,251)(H,217,264)(H,218,266)(H,219,234)(H,220,254)(H,221,248)(H,222,247)(H,235,236)(H4,182,183,186)(H4,184,185,187)/t86-,87-,88-,89+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,132-,133-,134-,135-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Peptides International, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells at -80 mV holding potential by QPatch assay |
Bioorg Med Chem 26: 2738-2758 (2018)
Article DOI: 10.1016/j.bmc.2017.09.029
BindingDB Entry DOI: 10.7270/Q2Q52S8Q |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 6
(Homo sapiens (Human)) | BDBM50459973
(Sor-c13)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C72H116N20O19/c1-39(2)31-48(84-63(102)49(33-42-17-8-7-9-18-42)85-60(99)46(24-25-56(94)95)81-59(98)44(75)19-10-12-26-73)62(101)88-52(34-43-36-78-38-80-43)70(109)92-30-16-23-55(92)67(106)89-53(37-93)65(104)82-45(20-11-13-27-74)61(100)90-58(41(5)6)68(107)86-50(35-57(96)97)64(103)87-51(32-40(3)4)69(108)91-29-15-22-54(91)66(105)83-47(71(110)111)21-14-28-79-72(76)77/h7-9,17-18,36,38-41,44-55,58,93H,10-16,19-35,37,73-75H2,1-6H3,(H,78,80)(H,81,98)(H,82,104)(H,83,105)(H,84,102)(H,85,99)(H,86,107)(H,87,103)(H,88,101)(H,89,106)(H,90,100)(H,94,95)(H,96,97)(H,110,111)(H4,76,77,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Peptides International, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TRPV6 (unknown origin) expressed in HEK293 cells by whole cell patch clamp assay |
Bioorg Med Chem 26: 2738-2758 (2018)
Article DOI: 10.1016/j.bmc.2017.09.029
BindingDB Entry DOI: 10.7270/Q2Q52S8Q |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM50051073
(CHEMBL3318132)Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Peptides International, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.6 (unknown origin) |
Bioorg Med Chem 26: 2738-2758 (2018)
Article DOI: 10.1016/j.bmc.2017.09.029
BindingDB Entry DOI: 10.7270/Q2Q52S8Q |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 2 subunit alpha
(Homo sapiens (Human)) | BDBM50051073
(CHEMBL3318132)Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Peptides International, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.2 (unknown origin) expressed in xenopus oocytes at -80 mV holding potential by two-electrode voltage-clamp method |
Bioorg Med Chem 26: 2738-2758 (2018)
Article DOI: 10.1016/j.bmc.2017.09.029
BindingDB Entry DOI: 10.7270/Q2Q52S8Q |
More data for this
Ligand-Target Pair | |
Acetylcholine receptor subunit epsilon
(Homo sapiens (Human)) | BDBM50459975
(CHEMBL4228909)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C112H175N37O26S2/c1-5-62(4)89(108(173)148-46-18-30-84(148)97(162)133-70(23-11-39-125-111(118)119)105(170)144-42-13-25-79(144)96(161)132-68(21-7-9-37-114)103(168)145-43-14-26-80(145)98(163)134-71(109(174)175)24-12-40-126-112(120)121)142-93(158)73(49-63-32-34-66(150)35-33-63)136-91(156)74(50-64-54-122-59-128-64)137-94(159)77-57-176-177-58-78(95(160)139-76(51-65-55-123-60-129-65)106(171)149-47-19-31-85(149)107(172)147-45-17-29-83(147)101(166)140-77)141-100(165)82-28-16-44-146(82)104(169)69(22-10-38-124-110(116)117)131-90(155)72(48-61(2)3)135-92(157)75(52-88(153)154)138-99(164)81-27-15-41-143(81)102(167)67(20-6-8-36-113)130-87(152)56-127-86(151)53-115/h32-35,54-55,59-62,67-85,89,150H,5-31,36-53,56-58,113-115H2,1-4H3,(H,122,128)(H,123,129)(H,127,151)(H,130,152)(H,131,155)(H,132,161)(H,133,162)(H,134,163)(H,135,157)(H,136,156)(H,137,159)(H,138,164)(H,139,160)(H,140,166)(H,141,165)(H,142,158)(H,153,154)(H,174,175)(H4,116,117,124)(H4,118,119,125)(H4,120,121,126)/t62-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,89-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Peptides International, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of nAChR epsilon (unknown origin) |
Bioorg Med Chem 26: 2738-2758 (2018)
Article DOI: 10.1016/j.bmc.2017.09.029
BindingDB Entry DOI: 10.7270/Q2Q52S8Q |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50051073
(CHEMBL3318132)Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Peptides International, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 (unknown origin) expressed in xenopus oocytes at -80 mV holding potential by two-electrode voltage-clamp method |
Bioorg Med Chem 26: 2738-2758 (2018)
Article DOI: 10.1016/j.bmc.2017.09.029
BindingDB Entry DOI: 10.7270/Q2Q52S8Q |
More data for this
Ligand-Target Pair | |
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