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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide 1' and Ligand = 'BDBM50246687'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Calcitonin gene-related peptide 1


(Homo sapiens (Human))		BDBM50246687
PNG
(CHEMBL500283 | WVTHRLAGLLSRSGGVVKNNFVPTNVGSKAF-NH2)
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)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)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)=N)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](CCCCN)C(=O)N[C@@H](CC(N)=O)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(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C150H240N46O39/c1-72(2)52-96(173-112(206)66-167-123(210)80(17)171-131(218)97(53-73(3)4)180-129(216)93(44-33-49-163-149(158)159)175-134(221)100(58-87-63-162-71-170-87)185-147(234)121(83(20)201)195-145(232)118(78(13)14)190-125(212)89(153)57-86-62-165-90-41-28-27-40-88(86)90)132(219)181-98(54-74(5)6)133(220)188-106(70-199)140(227)177-94(45-34-50-164-150(160)161)130(217)187-104(68-197)126(213)168-64-111(205)166-65-114(208)189-116(76(9)10)144(231)192-117(77(11)12)143(230)178-92(43-30-32-48-152)128(215)183-101(59-108(154)202)136(223)184-102(60-109(155)203)135(222)182-99(56-85-38-25-22-26-39-85)137(224)193-119(79(15)16)148(235)196-51-35-46-107(196)141(228)194-120(82(19)200)146(233)186-103(61-110(156)204)138(225)191-115(75(7)8)142(229)169-67-113(207)174-105(69-198)139(226)176-91(42-29-31-47-151)127(214)172-81(18)124(211)179-95(122(157)209)55-84-36-23-21-24-37-84/h21-28,36-41,62-63,71-83,89,91-107,115-121,165,197-201H,29-35,42-61,64-70,151-153H2,1-20H3,(H2,154,202)(H2,155,203)(H2,156,204)(H2,157,209)(H,162,170)(H,166,205)(H,167,210)(H,168,213)(H,169,229)(H,171,218)(H,172,214)(H,173,206)(H,174,207)(H,175,221)(H,176,226)(H,177,227)(H,178,230)(H,179,211)(H,180,216)(H,181,219)(H,182,222)(H,183,215)(H,184,223)(H,185,234)(H,186,233)(H,187,217)(H,188,220)(H,189,208)(H,190,212)(H,191,225)(H,192,231)(H,193,224)(H,194,228)(H,195,232)(H4,158,159,163)(H4,160,161,164)/t80-,81-,82+,83+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,115-,116-,117-,118-,119-,120-,121-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.640n/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