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SMILES: [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)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)N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC

InChI Key: InChIKey=OXMAPZLADZSWCZ-YEJGCBPXSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50115711   
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
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))		BDBM50115711
PNG
(CHEMBL3609084)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)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)N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC |r|
Show InChI InChI=1S/C171H279N55O47S7/c1-12-87(5)129-162(267)210-114(72-128(237)238)152(257)224-133(92(10)233)165(270)222-130(88(6)13-2)166(271)226-65-34-48-125(226)161(266)204-102(43-23-28-59-175)142(247)212-116(76-228)153(258)199-106(47-33-64-191-171(185)186)143(248)216-123-83-278-277-81-121-158(263)201-104(45-31-62-189-169(181)182)138(243)197-103(44-24-29-60-176)146(251)223-132(91(9)232)164(269)219-119(136(241)192-74-127(236)195-99(40-20-25-56-172)137(242)220-124(167(272)273)84-280-279-82-122(159(264)221-129)218-156(261)115(75-227)211-135(240)98(177)39-30-61-188-168(179)180)79-275-276-80-120(215-144(249)107(53-54-126(178)235)202-148(253)110(68-93-35-16-14-17-36-93)205-134(239)89(7)194-163(268)131(90(8)231)225-160(123)265)157(262)200-101(42-22-27-58-174)140(245)209-113(71-96-73-187-85-193-96)151(256)214-117(77-229)154(259)203-108(55-66-274-11)145(250)196-100(41-21-26-57-173)139(244)207-112(70-95-49-51-97(234)52-50-95)149(254)198-105(46-32-63-190-170(183)184)141(246)206-109(67-86(3)4)147(252)213-118(78-230)155(260)208-111(150(255)217-121)69-94-37-18-15-19-38-94/h14-19,35-38,49-52,73,85-92,98-125,129-133,227-234H,12-13,20-34,39-48,53-72,74-84,172-177H2,1-11H3,(H2,178,235)(H,187,193)(H,192,241)(H,194,268)(H,195,236)(H,196,250)(H,197,243)(H,198,254)(H,199,258)(H,200,262)(H,201,263)(H,202,253)(H,203,259)(H,204,266)(H,205,239)(H,206,246)(H,207,244)(H,208,260)(H,209,245)(H,210,267)(H,211,240)(H,212,247)(H,213,252)(H,214,256)(H,215,249)(H,216,248)(H,217,255)(H,218,261)(H,219,269)(H,220,242)(H,221,264)(H,222,270)(H,223,251)(H,224,257)(H,225,265)(H,237,238)(H,272,273)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,91+,92+,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-,125-,129-,130-,131-,132-,133-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0670n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thapsigargin-induced IL-2 secretion incubated for 30 prior to thapsigargi...

J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))		BDBM50115711
PNG
(CHEMBL3609084)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)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)N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC |r|
Show InChI InChI=1S/C171H279N55O47S7/c1-12-87(5)129-162(267)210-114(72-128(237)238)152(257)224-133(92(10)233)165(270)222-130(88(6)13-2)166(271)226-65-34-48-125(226)161(266)204-102(43-23-28-59-175)142(247)212-116(76-228)153(258)199-106(47-33-64-191-171(185)186)143(248)216-123-83-278-277-81-121-158(263)201-104(45-31-62-189-169(181)182)138(243)197-103(44-24-29-60-176)146(251)223-132(91(9)232)164(269)219-119(136(241)192-74-127(236)195-99(40-20-25-56-172)137(242)220-124(167(272)273)84-280-279-82-122(159(264)221-129)218-156(261)115(75-227)211-135(240)98(177)39-30-61-188-168(179)180)79-275-276-80-120(215-144(249)107(53-54-126(178)235)202-148(253)110(68-93-35-16-14-17-36-93)205-134(239)89(7)194-163(268)131(90(8)231)225-160(123)265)157(262)200-101(42-22-27-58-174)140(245)209-113(71-96-73-187-85-193-96)151(256)214-117(77-229)154(259)203-108(55-66-274-11)145(250)196-100(41-21-26-57-173)139(244)207-112(70-95-49-51-97(234)52-50-95)149(254)198-105(46-32-63-190-170(183)184)141(246)206-109(67-86(3)4)147(252)213-118(78-230)155(260)208-111(150(255)217-121)69-94-37-18-15-19-38-94/h14-19,35-38,49-52,73,85-92,98-125,129-133,227-234H,12-13,20-34,39-48,53-72,74-84,172-177H2,1-11H3,(H2,178,235)(H,187,193)(H,192,241)(H,194,268)(H,195,236)(H,196,250)(H,197,243)(H,198,254)(H,199,258)(H,200,262)(H,201,263)(H,202,253)(H,203,259)(H,204,266)(H,205,239)(H,206,246)(H,207,244)(H,208,260)(H,209,245)(H,210,267)(H,211,240)(H,212,247)(H,213,252)(H,214,256)(H,215,249)(H,216,248)(H,217,255)(H,218,261)(H,219,269)(H,220,242)(H,221,264)(H,222,270)(H,223,251)(H,224,257)(H,225,265)(H,237,238)(H,272,273)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,91+,92+,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-,125-,129-,130-,131-,132-,133-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00500n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...

J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))		BDBM50115711
PNG
(CHEMBL3609084)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)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)N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC |r|
Show InChI InChI=1S/C171H279N55O47S7/c1-12-87(5)129-162(267)210-114(72-128(237)238)152(257)224-133(92(10)233)165(270)222-130(88(6)13-2)166(271)226-65-34-48-125(226)161(266)204-102(43-23-28-59-175)142(247)212-116(76-228)153(258)199-106(47-33-64-191-171(185)186)143(248)216-123-83-278-277-81-121-158(263)201-104(45-31-62-189-169(181)182)138(243)197-103(44-24-29-60-176)146(251)223-132(91(9)232)164(269)219-119(136(241)192-74-127(236)195-99(40-20-25-56-172)137(242)220-124(167(272)273)84-280-279-82-122(159(264)221-129)218-156(261)115(75-227)211-135(240)98(177)39-30-61-188-168(179)180)79-275-276-80-120(215-144(249)107(53-54-126(178)235)202-148(253)110(68-93-35-16-14-17-36-93)205-134(239)89(7)194-163(268)131(90(8)231)225-160(123)265)157(262)200-101(42-22-27-58-174)140(245)209-113(71-96-73-187-85-193-96)151(256)214-117(77-229)154(259)203-108(55-66-274-11)145(250)196-100(41-21-26-57-173)139(244)207-112(70-95-49-51-97(234)52-50-95)149(254)198-105(46-32-63-190-170(183)184)141(246)206-109(67-86(3)4)147(252)213-118(78-230)155(260)208-111(150(255)217-121)69-94-37-18-15-19-38-94/h14-19,35-38,49-52,73,85-92,98-125,129-133,227-234H,12-13,20-34,39-48,53-72,74-84,172-177H2,1-11H3,(H2,178,235)(H,187,193)(H,192,241)(H,194,268)(H,195,236)(H,196,250)(H,197,243)(H,198,254)(H,199,258)(H,200,262)(H,201,263)(H,202,253)(H,203,259)(H,204,266)(H,205,239)(H,206,246)(H,207,244)(H,208,260)(H,209,245)(H,210,267)(H,211,240)(H,212,247)(H,213,252)(H,214,256)(H,215,249)(H,216,248)(H,217,255)(H,218,261)(H,219,269)(H,220,242)(H,221,264)(H,222,270)(H,223,251)(H,224,257)(H,225,265)(H,237,238)(H,272,273)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,91+,92+,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-,125-,129-,130-,131-,132-,133-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.153n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch clam...

J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))		BDBM50115711
PNG
(CHEMBL3609084)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)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)N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC |r|
Show InChI InChI=1S/C171H279N55O47S7/c1-12-87(5)129-162(267)210-114(72-128(237)238)152(257)224-133(92(10)233)165(270)222-130(88(6)13-2)166(271)226-65-34-48-125(226)161(266)204-102(43-23-28-59-175)142(247)212-116(76-228)153(258)199-106(47-33-64-191-171(185)186)143(248)216-123-83-278-277-81-121-158(263)201-104(45-31-62-189-169(181)182)138(243)197-103(44-24-29-60-176)146(251)223-132(91(9)232)164(269)219-119(136(241)192-74-127(236)195-99(40-20-25-56-172)137(242)220-124(167(272)273)84-280-279-82-122(159(264)221-129)218-156(261)115(75-227)211-135(240)98(177)39-30-61-188-168(179)180)79-275-276-80-120(215-144(249)107(53-54-126(178)235)202-148(253)110(68-93-35-16-14-17-36-93)205-134(239)89(7)194-163(268)131(90(8)231)225-160(123)265)157(262)200-101(42-22-27-58-174)140(245)209-113(71-96-73-187-85-193-96)151(256)214-117(77-229)154(259)203-108(55-66-274-11)145(250)196-100(41-21-26-57-173)139(244)207-112(70-95-49-51-97(234)52-50-95)149(254)198-105(46-32-63-190-170(183)184)141(246)206-109(67-86(3)4)147(252)213-118(78-230)155(260)208-111(150(255)217-121)69-94-37-18-15-19-38-94/h14-19,35-38,49-52,73,85-92,98-125,129-133,227-234H,12-13,20-34,39-48,53-72,74-84,172-177H2,1-11H3,(H2,178,235)(H,187,193)(H,192,241)(H,194,268)(H,195,236)(H,196,250)(H,197,243)(H,198,254)(H,199,258)(H,200,262)(H,201,263)(H,202,253)(H,203,259)(H,204,266)(H,205,239)(H,206,246)(H,207,244)(H,208,260)(H,209,245)(H,210,267)(H,211,240)(H,212,247)(H,213,252)(H,214,256)(H,215,249)(H,216,248)(H,217,255)(H,218,261)(H,219,269)(H,220,242)(H,221,264)(H,222,270)(H,223,251)(H,224,257)(H,225,265)(H,237,238)(H,272,273)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,91+,92+,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-,125-,129-,130-,131-,132-,133-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.136n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thapsigargin-induced IFN-gamma secretion incubated for 30 prior to thapsi...

J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair