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23 similar compounds to monomer 50249787

Compile data set for download or QSAR
Wt: 4039.8
BDBM50077854
Wt: 4057.8
BDBM50077856
Wt: 4025.7
BDBM50077857
Wt: 273.3
BDBM50077863
Wt: 384.3
BDBM50077871
Wt: 420.3
BDBM50077875
Wt: 370.2
BDBM50077870
Wt: 3983.6
BDBM50077860
Wt: 489.4
BDBM50241041
Wt: 535.5
BDBM50241042
Wt: 475.4
BDBM50241043
Wt: 296.3
BDBM50249709
Wt: 296.3
BDBM50249710
Wt: 358.4
BDBM50249785
Wt: 411.4
BDBM50249788
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50077854,50077856,50077857,50077863,50077871,50077875,50077870,50077860,50241041,50241042,50241043,50249709,50249710,50249785,50249788   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50077870
PNG
(CHEMBL3417079 | US9611229, 65)
Show SMILES CCN(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H21Cl2N5O/c1-2-22(6-5-21-7-9-24-10-8-21)16-12-23(20-19-16)13-3-4-14(17)15(18)11-13/h3-4,11-12H,2,5-10H2,1H3
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216n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting


J Med Chem 58: 2441-51 (2015)


Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50077870
PNG
(CHEMBL3417079 | US9611229, 65)
Show SMILES CCN(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H21Cl2N5O/c1-2-22(6-5-21-7-9-24-10-8-21)16-12-23(20-19-16)13-3-4-14(17)15(18)11-13/h3-4,11-12H,2,5-10H2,1H3
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US Patent
216n/an/an/an/an/an/an/an/a



LABORATORIOS DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...


US Patent US9611229 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2T155QS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50077871
PNG
(CHEMBL3417080)
Show SMILES CCCN(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N5O/c1-2-5-23(7-6-22-8-10-25-11-9-22)17-13-24(21-20-17)14-3-4-15(18)16(19)12-14/h3-4,12-13H,2,5-11H2,1H3
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451n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting


J Med Chem 58: 2441-51 (2015)


Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50077863
PNG
(CHEMBL3417072)
Show SMILES CCN(CC)CCNc1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C15H23N5/c1-3-19(4-2)11-10-16-15-13-20(18-17-15)12-14-8-6-5-7-9-14/h5-9,13,16H,3-4,10-12H2,1-2H3
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701n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting


J Med Chem 58: 2441-51 (2015)


Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50077875
PNG
(CHEMBL3417084)
Show SMILES CS(=O)(=O)N(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N5O3S/c1-26(23,24)22(5-4-20-6-8-25-9-7-20)15-11-21(19-18-15)12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting


J Med Chem 58: 2441-51 (2015)


Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50077857
PNG
(CHEMBL3416920)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@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](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C172H271N53O45S7/c1-15-89(12)135-169(270)225-60-33-46-125(225)163(264)210-116(72-131(236)237)152(253)207-113(69-126(178)229)149(250)208-115(71-130(234)235)151(252)197-102(41-24-28-55-176)144(245)214-121-80-275-273-78-119(156(257)199-100(39-22-26-53-174)141(242)205-110(65-92-47-49-95(228)50-48-92)154(255)221-133(87(8)9)165(266)202-107(137(180)238)64-91-34-17-16-18-35-91)216-147(248)111(66-93-73-191-98-37-20-19-36-96(93)98)206-142(243)99(38-21-25-52-173)196-148(249)112(67-94-74-187-83-193-94)211-167(268)136(90(13)227)223-146(247)104(43-30-57-189-171(183)184)198-155(256)117(76-226)212-159(260)122-81-276-277-82-123(161(262)222-135)215-143(244)101(40-23-27-54-175)194-140(241)103(42-29-56-188-170(181)182)195-145(246)105(51-61-271-14)200-164(265)132(86(6)7)219-128(231)75-192-139(240)108(62-84(2)3)203-158(259)118(213-138(239)97(177)68-129(232)233)77-272-274-79-120(217-160(121)261)157(258)201-106(44-31-58-190-172(185)186)168(269)224-59-32-45-124(224)162(263)209-114(70-127(179)230)150(251)204-109(63-85(4)5)153(254)220-134(88(10)11)166(267)218-122/h16-20,34-37,47-50,73-74,83-90,97,99-125,132-136,191,226-228H,15,21-33,38-46,51-72,75-82,173-177H2,1-14H3,(H2,178,229)(H2,179,230)(H2,180,238)(H,187,193)(H,192,240)(H,194,241)(H,195,246)(H,196,249)(H,197,252)(H,198,256)(H,199,257)(H,200,265)(H,201,258)(H,202,266)(H,203,259)(H,204,251)(H,205,242)(H,206,243)(H,207,253)(H,208,250)(H,209,263)(H,210,264)(H,211,268)(H,212,260)(H,213,239)(H,214,245)(H,215,244)(H,216,248)(H,217,261)(H,218,267)(H,219,231)(H,220,254)(H,221,255)(H,222,262)(H,223,247)(H,232,233)(H,234,235)(H,236,237)(H4,181,182,188)(H4,183,184,189)(H4,185,186,190)/t89-,90+,97-,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-,125-,132-,133-,134-,135-,136-/s2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50077856
PNG
(CHEMBL3416921)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@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](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C172H271N53O45S8/c1-14-89(10)135-169(270)225-60-32-45-126(225)164(265)211-117(73-132(236)237)153(254)208-114(70-127(178)229)150(251)209-116(72-131(234)235)152(253)198-102(40-23-27-55-176)144(245)215-122-81-276-274-79-120(157(258)200-100(38-21-25-53-174)141(242)206-111(66-92-46-48-95(228)49-47-92)155(256)221-133(87(6)7)165(266)203-108(137(180)238)65-91-33-16-15-17-34-91)217-148(249)112(67-93-74-191-98-36-19-18-35-96(93)98)207-142(243)99(37-20-24-52-173)197-149(250)113(68-94-75-187-84-193-94)212-167(268)136(90(11)227)223-147(248)104(42-29-57-189-171(183)184)199-156(257)118(77-226)213-160(261)123-82-277-278-83-124(162(263)222-135)216-143(244)101(39-22-26-54-175)195-140(241)103(41-28-56-188-170(181)182)196-146(247)106(51-62-272-13)201-145(246)105(50-61-271-12)194-129(231)76-192-139(240)109(63-85(2)3)204-159(260)119(214-138(239)97(177)69-130(232)233)78-273-275-80-121(218-161(122)262)158(259)202-107(43-30-58-190-172(185)186)168(269)224-59-31-44-125(224)163(264)210-115(71-128(179)230)151(252)205-110(64-86(4)5)154(255)220-134(88(8)9)166(267)219-123/h15-19,33-36,46-49,74-75,84-90,97,99-126,133-136,191,226-228H,14,20-32,37-45,50-73,76-83,173-177H2,1-13H3,(H2,178,229)(H2,179,230)(H2,180,238)(H,187,193)(H,192,240)(H,194,231)(H,195,241)(H,196,247)(H,197,250)(H,198,253)(H,199,257)(H,200,258)(H,201,246)(H,202,259)(H,203,266)(H,204,260)(H,205,252)(H,206,242)(H,207,243)(H,208,254)(H,209,251)(H,210,264)(H,211,265)(H,212,268)(H,213,261)(H,214,239)(H,215,245)(H,216,244)(H,217,249)(H,218,262)(H,219,267)(H,220,255)(H,221,256)(H,222,263)(H,223,248)(H,232,233)(H,234,235)(H,236,237)(H4,181,182,188)(H4,183,184,189)(H4,185,186,190)/t89-,90+,97-,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-,125-,126-,133-,134-,135-,136-/s2
PDB

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Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50077854
PNG
(CHEMBL3416923)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@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](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C173H273N53O45S7/c1-15-90(12)136-170(271)226-60-33-46-127(226)165(266)212-118(73-133(237)238)154(255)209-115(70-128(179)230)151(252)210-117(72-132(235)236)153(254)199-103(41-24-28-55-177)145(246)216-123-81-276-274-79-121(158(259)201-101(39-22-26-53-175)142(243)207-112(66-93-47-49-96(229)50-48-93)156(257)222-134(88(8)9)166(267)204-108(138(181)239)65-92-34-17-16-18-35-92)218-149(250)113(67-94-74-192-99-37-20-19-36-97(94)99)208-143(244)100(38-21-25-52-174)198-150(251)114(68-95-75-188-84-194-95)213-168(269)137(91(13)228)224-147(248)105(43-30-57-190-172(184)185)200-157(258)119(77-227)214-161(262)124-82-277-278-83-125(163(264)223-136)217-144(245)102(40-23-27-54-176)196-141(242)104(42-29-56-189-171(182)183)197-146(247)106(51-61-272-14)202-148(249)110(63-86(4)5)195-130(232)76-193-140(241)109(62-85(2)3)205-160(261)120(215-139(240)98(178)69-131(233)234)78-273-275-80-122(219-162(123)263)159(260)203-107(44-31-58-191-173(186)187)169(270)225-59-32-45-126(225)164(265)211-116(71-129(180)231)152(253)206-111(64-87(6)7)155(256)221-135(89(10)11)167(268)220-124/h16-20,34-37,47-50,74-75,84-91,98,100-127,134-137,192,227-229H,15,21-33,38-46,51-73,76-83,174-178H2,1-14H3,(H2,179,230)(H2,180,231)(H2,181,239)(H,188,194)(H,193,241)(H,195,232)(H,196,242)(H,197,247)(H,198,251)(H,199,254)(H,200,258)(H,201,259)(H,202,249)(H,203,260)(H,204,267)(H,205,261)(H,206,253)(H,207,243)(H,208,244)(H,209,255)(H,210,252)(H,211,265)(H,212,266)(H,213,269)(H,214,262)(H,215,240)(H,216,246)(H,217,245)(H,218,250)(H,219,263)(H,220,268)(H,221,256)(H,222,257)(H,223,264)(H,224,248)(H,233,234)(H,235,236)(H,237,238)(H4,182,183,189)(H4,184,185,190)(H4,186,187,191)/t90-,91+,98-,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-,125-,126-,127-,134-,135-,136-,137-/s2
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n/an/a 900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50077854
PNG
(CHEMBL3416923)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@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](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C173H273N53O45S7/c1-15-90(12)136-170(271)226-60-33-46-127(226)165(266)212-118(73-133(237)238)154(255)209-115(70-128(179)230)151(252)210-117(72-132(235)236)153(254)199-103(41-24-28-55-177)145(246)216-123-81-276-274-79-121(158(259)201-101(39-22-26-53-175)142(243)207-112(66-93-47-49-96(229)50-48-93)156(257)222-134(88(8)9)166(267)204-108(138(181)239)65-92-34-17-16-18-35-92)218-149(250)113(67-94-74-192-99-37-20-19-36-97(94)99)208-143(244)100(38-21-25-52-174)198-150(251)114(68-95-75-188-84-194-95)213-168(269)137(91(13)228)224-147(248)105(43-30-57-190-172(184)185)200-157(258)119(77-227)214-161(262)124-82-277-278-83-125(163(264)223-136)217-144(245)102(40-23-27-54-176)196-141(242)104(42-29-56-189-171(182)183)197-146(247)106(51-61-272-14)202-148(249)110(63-86(4)5)195-130(232)76-193-140(241)109(62-85(2)3)205-160(261)120(215-139(240)98(178)69-131(233)234)78-273-275-80-122(219-162(123)263)159(260)203-107(44-31-58-191-173(186)187)169(270)225-59-32-45-126(225)164(265)211-116(71-129(180)231)152(253)206-111(64-87(6)7)155(256)221-135(89(10)11)167(268)220-124/h16-20,34-37,47-50,74-75,84-91,98,100-127,134-137,192,227-229H,15,21-33,38-46,51-73,76-83,174-178H2,1-14H3,(H2,179,230)(H2,180,231)(H2,181,239)(H,188,194)(H,193,241)(H,195,232)(H,196,242)(H,197,247)(H,198,251)(H,199,254)(H,200,258)(H,201,259)(H,202,249)(H,203,260)(H,204,267)(H,205,261)(H,206,253)(H,207,243)(H,208,244)(H,209,255)(H,210,252)(H,211,265)(H,212,266)(H,213,269)(H,214,262)(H,215,240)(H,216,246)(H,217,245)(H,218,250)(H,219,263)(H,220,268)(H,221,256)(H,222,257)(H,223,264)(H,224,248)(H,233,234)(H,235,236)(H,237,238)(H4,182,183,189)(H4,184,185,190)(H4,186,187,191)/t90-,91+,98-,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-,125-,126-,127-,134-,135-,136-,137-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50077856
PNG
(CHEMBL3416921)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@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](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C172H271N53O45S8/c1-14-89(10)135-169(270)225-60-32-45-126(225)164(265)211-117(73-132(236)237)153(254)208-114(70-127(178)229)150(251)209-116(72-131(234)235)152(253)198-102(40-23-27-55-176)144(245)215-122-81-276-274-79-120(157(258)200-100(38-21-25-53-174)141(242)206-111(66-92-46-48-95(228)49-47-92)155(256)221-133(87(6)7)165(266)203-108(137(180)238)65-91-33-16-15-17-34-91)217-148(249)112(67-93-74-191-98-36-19-18-35-96(93)98)207-142(243)99(37-20-24-52-173)197-149(250)113(68-94-75-187-84-193-94)212-167(268)136(90(11)227)223-147(248)104(42-29-57-189-171(183)184)199-156(257)118(77-226)213-160(261)123-82-277-278-83-124(162(263)222-135)216-143(244)101(39-22-26-54-175)195-140(241)103(41-28-56-188-170(181)182)196-146(247)106(51-62-272-13)201-145(246)105(50-61-271-12)194-129(231)76-192-139(240)109(63-85(2)3)204-159(260)119(214-138(239)97(177)69-130(232)233)78-273-275-80-121(218-161(122)262)158(259)202-107(43-30-58-190-172(185)186)168(269)224-59-31-44-125(224)163(264)210-115(71-128(179)230)151(252)205-110(64-86(4)5)154(255)220-134(88(8)9)166(267)219-123/h15-19,33-36,46-49,74-75,84-90,97,99-126,133-136,191,226-228H,14,20-32,37-45,50-73,76-83,173-177H2,1-13H3,(H2,178,229)(H2,179,230)(H2,180,238)(H,187,193)(H,192,240)(H,194,231)(H,195,241)(H,196,247)(H,197,250)(H,198,253)(H,199,257)(H,200,258)(H,201,246)(H,202,259)(H,203,266)(H,204,260)(H,205,252)(H,206,242)(H,207,243)(H,208,254)(H,209,251)(H,210,264)(H,211,265)(H,212,268)(H,213,261)(H,214,239)(H,215,245)(H,216,244)(H,217,249)(H,218,262)(H,219,267)(H,220,255)(H,221,256)(H,222,263)(H,223,248)(H,232,233)(H,234,235)(H,236,237)(H4,181,182,188)(H4,183,184,189)(H4,185,186,190)/t89-,90+,97-,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-,125-,126-,133-,134-,135-,136-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50077857
PNG
(CHEMBL3416920)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@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](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C172H271N53O45S7/c1-15-89(12)135-169(270)225-60-33-46-125(225)163(264)210-116(72-131(236)237)152(253)207-113(69-126(178)229)149(250)208-115(71-130(234)235)151(252)197-102(41-24-28-55-176)144(245)214-121-80-275-273-78-119(156(257)199-100(39-22-26-53-174)141(242)205-110(65-92-47-49-95(228)50-48-92)154(255)221-133(87(8)9)165(266)202-107(137(180)238)64-91-34-17-16-18-35-91)216-147(248)111(66-93-73-191-98-37-20-19-36-96(93)98)206-142(243)99(38-21-25-52-173)196-148(249)112(67-94-74-187-83-193-94)211-167(268)136(90(13)227)223-146(247)104(43-30-57-189-171(183)184)198-155(256)117(76-226)212-159(260)122-81-276-277-82-123(161(262)222-135)215-143(244)101(40-23-27-54-175)194-140(241)103(42-29-56-188-170(181)182)195-145(246)105(51-61-271-14)200-164(265)132(86(6)7)219-128(231)75-192-139(240)108(62-84(2)3)203-158(259)118(213-138(239)97(177)68-129(232)233)77-272-274-79-120(217-160(121)261)157(258)201-106(44-31-58-190-172(185)186)168(269)224-59-32-45-124(224)162(263)209-114(70-127(179)230)150(251)204-109(63-85(4)5)153(254)220-134(88(10)11)166(267)218-122/h16-20,34-37,47-50,73-74,83-90,97,99-125,132-136,191,226-228H,15,21-33,38-46,51-72,75-82,173-177H2,1-14H3,(H2,178,229)(H2,179,230)(H2,180,238)(H,187,193)(H,192,240)(H,194,241)(H,195,246)(H,196,249)(H,197,252)(H,198,256)(H,199,257)(H,200,265)(H,201,258)(H,202,266)(H,203,259)(H,204,251)(H,205,242)(H,206,243)(H,207,253)(H,208,250)(H,209,263)(H,210,264)(H,211,268)(H,212,260)(H,213,239)(H,214,245)(H,215,244)(H,216,248)(H,217,261)(H,218,267)(H,219,231)(H,220,254)(H,221,255)(H,222,262)(H,223,247)(H,232,233)(H,234,235)(H,236,237)(H4,181,182,188)(H4,183,184,189)(H4,185,186,190)/t89-,90+,97-,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-,125-,132-,133-,134-,135-,136-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50077860
PNG
(CHEMBL3416917)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C169H265N53O45S7/c1-13-87(10)133-166(267)222-58-31-44-123(222)161(262)208-114(70-130(234)235)150(251)205-111(67-124(175)226)147(248)206-113(69-129(232)233)149(250)196-100(39-22-26-53-173)142(243)212-119-79-272-270-77-117(154(255)198-98(37-20-24-51-171)139(240)203-108(63-90-45-47-93(225)48-46-90)152(253)218-131(85(6)7)162(263)200-105(135(177)236)62-89-32-15-14-16-33-89)214-145(246)109(64-91-71-188-96-35-18-17-34-94(91)96)204-140(241)97(36-19-23-50-170)195-146(247)110(65-92-72-184-82-191-92)209-164(265)134(88(11)224)220-144(245)102(41-28-55-186-168(180)181)197-153(254)115(75-223)210-157(258)120-80-273-274-81-121(159(260)219-133)213-141(242)99(38-21-25-52-172)193-138(239)101(40-27-54-185-167(178)179)194-143(244)103(49-59-268-12)192-127(229)74-189-126(228)73-190-137(238)106(60-83(2)3)201-156(257)116(211-136(237)95(174)66-128(230)231)76-269-271-78-118(215-158(119)259)155(256)199-104(42-29-56-187-169(182)183)165(266)221-57-30-43-122(221)160(261)207-112(68-125(176)227)148(249)202-107(61-84(4)5)151(252)217-132(86(8)9)163(264)216-120/h14-18,32-35,45-48,71-72,82-88,95,97-123,131-134,188,223-225H,13,19-31,36-44,49-70,73-81,170-174H2,1-12H3,(H2,175,226)(H2,176,227)(H2,177,236)(H,184,191)(H,189,228)(H,190,238)(H,192,229)(H,193,239)(H,194,244)(H,195,247)(H,196,250)(H,197,254)(H,198,255)(H,199,256)(H,200,263)(H,201,257)(H,202,249)(H,203,240)(H,204,241)(H,205,251)(H,206,248)(H,207,261)(H,208,262)(H,209,265)(H,210,258)(H,211,237)(H,212,243)(H,213,242)(H,214,246)(H,215,259)(H,216,264)(H,217,252)(H,218,253)(H,219,260)(H,220,245)(H,230,231)(H,232,233)(H,234,235)(H4,178,179,185)(H4,180,181,186)(H4,182,183,187)/t87-,88+,95-,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-,131-,132-,133-,134-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/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
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50249709
PNG
(CHEMBL4075398)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3cccnc3)c12
Show InChI InChI=1S/C16H20N6/c1-2-3-8-19-15-14-13(20-16(17)21-15)6-9-22(14)11-12-5-4-7-18-10-12/h4-7,9-10H,2-3,8,11H2,1H3,(H3,17,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 260n/an/an/an/a



Janssen Pharmaceutica

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...


J Med Chem 60: 6137-6151 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50249710
PNG
(CHEMBL4091156)
Show SMILES CCCCNc1nc(N)nc2ccn(Cc3ccncc3)c12
Show InChI InChI=1S/C16H20N6/c1-2-3-7-19-15-14-13(20-16(17)21-15)6-10-22(14)11-12-4-8-18-9-5-12/h4-6,8-10H,2-3,7,11H2,1H3,(H3,17,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 750n/an/an/an/a



Janssen Pharmaceutica

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...


J Med Chem 60: 6137-6151 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50249785
PNG
(CHEMBL4069814)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1
Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 600n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD4 isoform long bromodomain 1 (44 to 168 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 6998-7011 (2017)

More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50249788
PNG
(CHEMBL4064386)
Show SMILES CCN(c1ccc2n(C)c(=O)c(C)cc2c1)S(=O)(=O)c1ccc(cc1OC)C#N
Show InChI InChI=1S/C21H21N3O4S/c1-5-24(29(26,27)20-9-6-15(13-22)11-19(20)28-4)17-7-8-18-16(12-17)10-14(2)21(25)23(18)3/h6-12H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 110n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 (627 to 740 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 6998-7011 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249785
PNG
(CHEMBL4069814)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1
Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
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n/an/a 130n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (556 to 688 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 6998-7011 (2017)

More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50249785
PNG
(CHEMBL4069814)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1
Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
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n/an/a 9n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 (627 to 740 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 6998-7011 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241041
PNG
(CHEMBL4072511)
Show SMILES OCCNC(=O)c1ccc2COc3cc(Nc4ccc(F)c(NC(=O)C5CC5)c4)ccc3C(=O)c2c1
Show InChI InChI=1S/C27H24FN3O5/c28-22-8-6-18(12-23(22)31-27(35)15-1-2-15)30-19-5-7-20-24(13-19)36-14-17-4-3-16(11-21(17)25(20)33)26(34)29-9-10-32/h3-8,11-13,15,30,32H,1-2,9-10,14H2,(H,29,34)(H,31,35)
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n/an/a 24n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241042
PNG
(CHEMBL4061811)
Show SMILES OCC(O)CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)C5CC5)c(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1/C29H27F2N3O5/c30-23-11-24(31)26(34-29(39)16-3-4-16)12-25(23)33-19-7-8-21-17(9-19)5-1-15-2-6-18(10-22(15)27(21)37)28(38)32-13-20(36)14-35/h2,6-12,16,20,33,35-36H,1,3-5,13-14H2,(H,32,38)(H,34,39)
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n/an/a 4.20n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241043
PNG
(CHEMBL4103075)
Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)C5CC5)c(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C27H23F2N3O3/c1-30-26(34)17-7-3-14-2-6-16-10-18(8-9-19(16)25(33)20(14)11-17)31-23-13-24(22(29)12-21(23)28)32-27(35)15-4-5-15/h3,7-13,15,31H,2,4-6H2,1H3,(H,30,34)(H,32,35)
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n/an/a 1.30n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241041
PNG
(CHEMBL4072511)
Show SMILES OCCNC(=O)c1ccc2COc3cc(Nc4ccc(F)c(NC(=O)C5CC5)c4)ccc3C(=O)c2c1
Show InChI InChI=1S/C27H24FN3O5/c28-22-8-6-18(12-23(22)31-27(35)15-1-2-15)30-19-5-7-20-24(13-19)36-14-17-4-3-16(11-21(17)25(20)33)26(34)29-9-10-32/h3-8,11-13,15,30,32H,1-2,9-10,14H2,(H,29,34)(H,31,35)
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n/an/a 1.61E+3n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK in human whole blood assessed as reduction in TNF-alpha release after 10 mins by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50249785
PNG
(CHEMBL4069814)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1
Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
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n/an/a 600n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249785
PNG
(CHEMBL4069814)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1
Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
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n/an/a 130n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50077860
PNG
(CHEMBL3416917)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C169H265N53O45S7/c1-13-87(10)133-166(267)222-58-31-44-123(222)161(262)208-114(70-130(234)235)150(251)205-111(67-124(175)226)147(248)206-113(69-129(232)233)149(250)196-100(39-22-26-53-173)142(243)212-119-79-272-270-77-117(154(255)198-98(37-20-24-51-171)139(240)203-108(63-90-45-47-93(225)48-46-90)152(253)218-131(85(6)7)162(263)200-105(135(177)236)62-89-32-15-14-16-33-89)214-145(246)109(64-91-71-188-96-35-18-17-34-94(91)96)204-140(241)97(36-19-23-50-170)195-146(247)110(65-92-72-184-82-191-92)209-164(265)134(88(11)224)220-144(245)102(41-28-55-186-168(180)181)197-153(254)115(75-223)210-157(258)120-80-273-274-81-121(159(260)219-133)213-141(242)99(38-21-25-52-172)193-138(239)101(40-27-54-185-167(178)179)194-143(244)103(49-59-268-12)192-127(229)74-189-126(228)73-190-137(238)106(60-83(2)3)201-156(257)116(211-136(237)95(174)66-128(230)231)76-269-271-78-118(215-158(119)259)155(256)199-104(42-29-56-187-169(182)183)165(266)221-57-30-43-122(221)160(261)207-112(68-125(176)227)148(249)202-107(61-84(4)5)151(252)217-132(86(8)9)163(264)216-120/h14-18,32-35,45-48,71-72,82-88,95,97-123,131-134,188,223-225H,13,19-31,36-44,49-70,73-81,170-174H2,1-12H3,(H2,175,226)(H2,176,227)(H2,177,236)(H,184,191)(H,189,228)(H,190,238)(H,192,229)(H,193,239)(H,194,244)(H,195,247)(H,196,250)(H,197,254)(H,198,255)(H,199,256)(H,200,263)(H,201,257)(H,202,249)(H,203,240)(H,204,241)(H,205,251)(H,206,248)(H,207,261)(H,208,262)(H,209,265)(H,210,258)(H,211,237)(H,212,243)(H,213,242)(H,214,246)(H,215,259)(H,216,264)(H,217,252)(H,218,253)(H,219,260)(H,220,245)(H,230,231)(H,232,233)(H,234,235)(H4,178,179,185)(H4,180,181,186)(H4,182,183,187)/t87-,88+,95-,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-,131-,132-,133-,134-/s2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50077860
PNG
(CHEMBL3416917)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C169H265N53O45S7/c1-13-87(10)133-166(267)222-58-31-44-123(222)161(262)208-114(70-130(234)235)150(251)205-111(67-124(175)226)147(248)206-113(69-129(232)233)149(250)196-100(39-22-26-53-173)142(243)212-119-79-272-270-77-117(154(255)198-98(37-20-24-51-171)139(240)203-108(63-90-45-47-93(225)48-46-90)152(253)218-131(85(6)7)162(263)200-105(135(177)236)62-89-32-15-14-16-33-89)214-145(246)109(64-91-71-188-96-35-18-17-34-94(91)96)204-140(241)97(36-19-23-50-170)195-146(247)110(65-92-72-184-82-191-92)209-164(265)134(88(11)224)220-144(245)102(41-28-55-186-168(180)181)197-153(254)115(75-223)210-157(258)120-80-273-274-81-121(159(260)219-133)213-141(242)99(38-21-25-52-172)193-138(239)101(40-27-54-185-167(178)179)194-143(244)103(49-59-268-12)192-127(229)74-189-126(228)73-190-137(238)106(60-83(2)3)201-156(257)116(211-136(237)95(174)66-128(230)231)76-269-271-78-118(215-158(119)259)155(256)199-104(42-29-56-187-169(182)183)165(266)221-57-30-43-122(221)160(261)207-112(68-125(176)227)148(249)202-107(61-84(4)5)151(252)217-132(86(8)9)163(264)216-120/h14-18,32-35,45-48,71-72,82-88,95,97-123,131-134,188,223-225H,13,19-31,36-44,49-70,73-81,170-174H2,1-12H3,(H2,175,226)(H2,176,227)(H2,177,236)(H,184,191)(H,189,228)(H,190,238)(H,192,229)(H,193,239)(H,194,244)(H,195,247)(H,196,250)(H,197,254)(H,198,255)(H,199,256)(H,200,263)(H,201,257)(H,202,249)(H,203,240)(H,204,241)(H,205,251)(H,206,248)(H,207,261)(H,208,262)(H,209,265)(H,210,258)(H,211,237)(H,212,243)(H,213,242)(H,214,246)(H,215,259)(H,216,264)(H,217,252)(H,218,253)(H,219,260)(H,220,245)(H,230,231)(H,232,233)(H,234,235)(H4,178,179,185)(H4,180,181,186)(H4,182,183,187)/t87-,88+,95-,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-,131-,132-,133-,134-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50077857
PNG
(CHEMBL3416920)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@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](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C172H271N53O45S7/c1-15-89(12)135-169(270)225-60-33-46-125(225)163(264)210-116(72-131(236)237)152(253)207-113(69-126(178)229)149(250)208-115(71-130(234)235)151(252)197-102(41-24-28-55-176)144(245)214-121-80-275-273-78-119(156(257)199-100(39-22-26-53-174)141(242)205-110(65-92-47-49-95(228)50-48-92)154(255)221-133(87(8)9)165(266)202-107(137(180)238)64-91-34-17-16-18-35-91)216-147(248)111(66-93-73-191-98-37-20-19-36-96(93)98)206-142(243)99(38-21-25-52-173)196-148(249)112(67-94-74-187-83-193-94)211-167(268)136(90(13)227)223-146(247)104(43-30-57-189-171(183)184)198-155(256)117(76-226)212-159(260)122-81-276-277-82-123(161(262)222-135)215-143(244)101(40-23-27-54-175)194-140(241)103(42-29-56-188-170(181)182)195-145(246)105(51-61-271-14)200-164(265)132(86(6)7)219-128(231)75-192-139(240)108(62-84(2)3)203-158(259)118(213-138(239)97(177)68-129(232)233)77-272-274-79-120(217-160(121)261)157(258)201-106(44-31-58-190-172(185)186)168(269)224-59-32-45-124(224)162(263)209-114(70-127(179)230)150(251)204-109(63-85(4)5)153(254)220-134(88(10)11)166(267)218-122/h16-20,34-37,47-50,73-74,83-90,97,99-125,132-136,191,226-228H,15,21-33,38-46,51-72,75-82,173-177H2,1-14H3,(H2,178,229)(H2,179,230)(H2,180,238)(H,187,193)(H,192,240)(H,194,241)(H,195,246)(H,196,249)(H,197,252)(H,198,256)(H,199,257)(H,200,265)(H,201,258)(H,202,266)(H,203,259)(H,204,251)(H,205,242)(H,206,243)(H,207,253)(H,208,250)(H,209,263)(H,210,264)(H,211,268)(H,212,260)(H,213,239)(H,214,245)(H,215,244)(H,216,248)(H,217,261)(H,218,267)(H,219,231)(H,220,254)(H,221,255)(H,222,262)(H,223,247)(H,232,233)(H,234,235)(H,236,237)(H4,181,182,188)(H4,183,184,189)(H4,185,186,190)/t89-,90+,97-,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-,125-,132-,133-,134-,135-,136-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 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
Peregrin


(Homo sapiens (Human))
BDBM50249785
PNG
(CHEMBL4069814)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1
Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50077854
PNG
(CHEMBL3416923)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@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](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C173H273N53O45S7/c1-15-90(12)136-170(271)226-60-33-46-127(226)165(266)212-118(73-133(237)238)154(255)209-115(70-128(179)230)151(252)210-117(72-132(235)236)153(254)199-103(41-24-28-55-177)145(246)216-123-81-276-274-79-121(158(259)201-101(39-22-26-53-175)142(243)207-112(66-93-47-49-96(229)50-48-93)156(257)222-134(88(8)9)166(267)204-108(138(181)239)65-92-34-17-16-18-35-92)218-149(250)113(67-94-74-192-99-37-20-19-36-97(94)99)208-143(244)100(38-21-25-52-174)198-150(251)114(68-95-75-188-84-194-95)213-168(269)137(91(13)228)224-147(248)105(43-30-57-190-172(184)185)200-157(258)119(77-227)214-161(262)124-82-277-278-83-125(163(264)223-136)217-144(245)102(40-23-27-54-176)196-141(242)104(42-29-56-189-171(182)183)197-146(247)106(51-61-272-14)202-148(249)110(63-86(4)5)195-130(232)76-193-140(241)109(62-85(2)3)205-160(261)120(215-139(240)98(178)69-131(233)234)78-273-275-80-122(219-162(123)263)159(260)203-107(44-31-58-191-173(186)187)169(270)225-59-32-45-126(225)164(265)211-116(71-129(180)231)152(253)206-111(64-87(6)7)155(256)221-135(89(10)11)167(268)220-124/h16-20,34-37,47-50,74-75,84-91,98,100-127,134-137,192,227-229H,15,21-33,38-46,51-73,76-83,174-178H2,1-14H3,(H2,179,230)(H2,180,231)(H2,181,239)(H,188,194)(H,193,241)(H,195,232)(H,196,242)(H,197,247)(H,198,251)(H,199,254)(H,200,258)(H,201,259)(H,202,249)(H,203,260)(H,204,267)(H,205,261)(H,206,253)(H,207,243)(H,208,244)(H,209,255)(H,210,252)(H,211,265)(H,212,266)(H,213,269)(H,214,262)(H,215,240)(H,216,246)(H,217,245)(H,218,250)(H,219,263)(H,220,268)(H,221,256)(H,222,257)(H,223,264)(H,224,248)(H,233,234)(H,235,236)(H,237,238)(H4,182,183,189)(H4,184,185,190)(H4,186,187,191)/t90-,91+,98-,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-,125-,126-,127-,134-,135-,136-,137-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50077856
PNG
(CHEMBL3416921)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@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](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1/C172H271N53O45S8/c1-14-89(10)135-169(270)225-60-32-45-126(225)164(265)211-117(73-132(236)237)153(254)208-114(70-127(178)229)150(251)209-116(72-131(234)235)152(253)198-102(40-23-27-55-176)144(245)215-122-81-276-274-79-120(157(258)200-100(38-21-25-53-174)141(242)206-111(66-92-46-48-95(228)49-47-92)155(256)221-133(87(6)7)165(266)203-108(137(180)238)65-91-33-16-15-17-34-91)217-148(249)112(67-93-74-191-98-36-19-18-35-96(93)98)207-142(243)99(37-20-24-52-173)197-149(250)113(68-94-75-187-84-193-94)212-167(268)136(90(11)227)223-147(248)104(42-29-57-189-171(183)184)199-156(257)118(77-226)213-160(261)123-82-277-278-83-124(162(263)222-135)216-143(244)101(39-22-26-54-175)195-140(241)103(41-28-56-188-170(181)182)196-146(247)106(51-62-272-13)201-145(246)105(50-61-271-12)194-129(231)76-192-139(240)109(63-85(2)3)204-159(260)119(214-138(239)97(177)69-130(232)233)78-273-275-80-121(218-161(122)262)158(259)202-107(43-30-58-190-172(185)186)168(269)224-59-31-44-125(224)163(264)210-115(71-128(179)230)151(252)205-110(64-86(4)5)154(255)220-134(88(8)9)166(267)219-123/h15-19,33-36,46-49,74-75,84-90,97,99-126,133-136,191,226-228H,14,20-32,37-45,50-73,76-83,173-177H2,1-13H3,(H2,178,229)(H2,179,230)(H2,180,238)(H,187,193)(H,192,240)(H,194,231)(H,195,241)(H,196,247)(H,197,250)(H,198,253)(H,199,257)(H,200,258)(H,201,246)(H,202,259)(H,203,266)(H,204,260)(H,205,252)(H,206,242)(H,207,243)(H,208,254)(H,209,251)(H,210,264)(H,211,265)(H,212,268)(H,213,261)(H,214,239)(H,215,245)(H,216,244)(H,217,249)(H,218,262)(H,219,267)(H,220,255)(H,221,256)(H,222,263)(H,223,248)(H,232,233)(H,234,235)(H,236,237)(H4,181,182,188)(H4,183,184,189)(H4,185,186,190)/t89-,90+,97-,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-,125-,126-,133-,134-,135-,136-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 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