BindingDB logo
myBDB logout

BDBM50246708 Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVGP[1-Nal]AF-NH::CHEMBL525810

SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=JXTWPKPSAOKCLS-GNZKQNJCSA-N

Data: 2 IC50

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 2 hits for monomerid = 50246708   
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
ADM2


(Homo sapiens (Human))		BDBM50246708
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVGP[1-Nal...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C164H248N44O41/c1-82(2)63-109(185-124(216)77-178-136(222)90(17)182-143(229)110(64-83(3)4)191-141(227)106(53-37-59-174-163(170)248)187-147(233)115(70-100-74-172-81-181-100)196-160(246)134(93(20)212)206-158(244)131(88(13)14)202-150(236)113(184-94(21)213)69-99-73-176-103-50-31-30-49-102(99)103)145(231)192-111(65-84(5)6)146(232)199-119(80-210)152(238)188-107(54-38-60-175-164(171)249)142(228)198-118(79-209)138(224)179-75-123(215)177-76-125(217)200-129(86(9)10)157(243)203-130(87(11)12)156(242)189-105(52-33-35-58-173-162(168)169)139(225)186-104(51-32-34-57-165)140(226)194-116(71-122(166)214)148(234)193-112(67-96-43-26-23-27-44-96)149(235)204-132(89(15)16)161(247)208-62-40-56-121(208)154(240)205-133(92(19)211)159(245)197-117(72-127(219)220)151(237)201-128(85(7)8)155(241)180-78-126(218)207-61-39-55-120(207)153(239)195-114(68-98-47-36-46-97-45-28-29-48-101(97)98)144(230)183-91(18)137(223)190-108(135(167)221)66-95-41-24-22-25-42-95/h22-31,36,41-50,73-74,81-93,104-121,128-134,176,209-212H,32-35,37-40,51-72,75-80,165H2,1-21H3,(H2,166,214)(H2,167,221)(H,172,181)(H,177,215)(H,178,222)(H,179,224)(H,180,241)(H,182,229)(H,183,230)(H,184,213)(H,185,216)(H,186,225)(H,187,233)(H,188,238)(H,189,242)(H,190,223)(H,191,227)(H,192,231)(H,193,234)(H,194,226)(H,195,239)(H,196,246)(H,197,245)(H,198,228)(H,199,232)(H,200,217)(H,201,237)(H,202,236)(H,203,243)(H,204,235)(H,205,240)(H,206,244)(H,219,220)(H4,168,169,173)(H3,170,174,248)(H3,171,175,249)/t90-,91-,92+,93+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,128-,129-,130-,131-,132-,133-,134-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 375n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation

J Med Chem 51: 7889-97 (2008)


Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))		BDBM50246708
PNG
(Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVGP[1-Nal...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C164H248N44O41/c1-82(2)63-109(185-124(216)77-178-136(222)90(17)182-143(229)110(64-83(3)4)191-141(227)106(53-37-59-174-163(170)248)187-147(233)115(70-100-74-172-81-181-100)196-160(246)134(93(20)212)206-158(244)131(88(13)14)202-150(236)113(184-94(21)213)69-99-73-176-103-50-31-30-49-102(99)103)145(231)192-111(65-84(5)6)146(232)199-119(80-210)152(238)188-107(54-38-60-175-164(171)249)142(228)198-118(79-209)138(224)179-75-123(215)177-76-125(217)200-129(86(9)10)157(243)203-130(87(11)12)156(242)189-105(52-33-35-58-173-162(168)169)139(225)186-104(51-32-34-57-165)140(226)194-116(71-122(166)214)148(234)193-112(67-96-43-26-23-27-44-96)149(235)204-132(89(15)16)161(247)208-62-40-56-121(208)154(240)205-133(92(19)211)159(245)197-117(72-127(219)220)151(237)201-128(85(7)8)155(241)180-78-126(218)207-61-39-55-120(207)153(239)195-114(68-98-47-36-46-97-45-28-29-48-101(97)98)144(230)183-91(18)137(223)190-108(135(167)221)66-95-41-24-22-25-42-95/h22-31,36,41-50,73-74,81-93,104-121,128-134,176,209-212H,32-35,37-40,51-72,75-80,165H2,1-21H3,(H2,166,214)(H2,167,221)(H,172,181)(H,177,215)(H,178,222)(H,179,224)(H,180,241)(H,182,229)(H,183,230)(H,184,213)(H,185,216)(H,186,225)(H,187,233)(H,188,238)(H,189,242)(H,190,223)(H,191,227)(H,192,231)(H,193,234)(H,194,226)(H,195,239)(H,196,246)(H,197,245)(H,198,228)(H,199,232)(H,200,217)(H,201,237)(H,202,236)(H,203,243)(H,204,235)(H,205,240)(H,206,244)(H,219,220)(H4,168,169,173)(H3,170,174,248)(H3,171,175,249)/t90-,91-,92+,93+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,128-,129-,130-,131-,132-,133-,134-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation

J Med Chem 51: 7889-97 (2008)


Article DOI: 10.1021/jm8009298
BindingDB Entry DOI: 10.7270/Q2P26Z0C
More data for this
Ligand-Target Pair