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Compile Data Set for Download or QSAR

Found 1 hit of kd for monomerid = 50191374   
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
Complement C3


(Homo sapiens (Human))
BDBM50191374
PNG
(Ac-ICVWQD(5fW)GAHRCT-NH2 | CHEMBL219860)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |wU:75.79,4.4,39.40,18.17,90.94,56.57,107.111,108.114,wD:2.2,80.83,48.49,25.24,12.11,101.105,(-8.62,2.79,;-8.6,1.25,;-7.27,.5,;-5.94,1.28,;-7.26,-1.04,;-8.58,-1.82,;-9.93,-1.08,;-11.26,-1.86,;-9.95,.46,;-5.91,-1.8,;-5.9,-3.34,;-4.58,-1.02,;-3.24,-1.78,;-3.23,-3.32,;-1.89,-4.08,;-1.91,-1,;-1.93,.54,;-.57,-1.75,;.76,-.97,;.75,.57,;2.08,1.35,;-.6,1.33,;2.1,-1.73,;2.12,-3.26,;3.42,-.94,;4.77,-1.7,;4.78,-3.25,;6.12,-4,;7.52,-3.36,;8.56,-4.5,;7.81,-5.84,;8.29,-7.3,;7.27,-8.45,;5.77,-8.15,;5.28,-6.69,;6.3,-5.53,;6.09,-.92,;6.08,.62,;7.43,-1.68,;8.76,-.9,;8.75,.63,;10.07,1.42,;10.06,2.96,;8.72,3.73,;11.39,3.74,;10.1,-1.66,;10.11,-3.2,;11.43,-.87,;12.77,-1.62,;12.78,-3.17,;14.12,-3.93,;15.44,-3.14,;14.14,-5.47,;14.09,-.84,;14.08,.69,;15.43,-1.61,;16.76,-.83,;16.75,.71,;18.07,1.5,;19.48,.88,;20.5,2.04,;19.72,3.36,;20.19,4.83,;19.15,5.97,;17.64,5.63,;16.61,6.76,;17.18,4.16,;18.22,3.03,;18.1,-1.58,;18.11,-3.12,;19.43,-.79,;20.76,-1.56,;22.09,-.78,;22.08,.77,;23.43,-1.53,;24.76,-.75,;24.75,.79,;26.1,-1.5,;26.11,-3.04,;27.43,-.72,;28.77,-1.48,;28.77,-3.02,;30.12,-3.77,;31.51,-3.14,;32.56,-4.26,;31.8,-5.61,;30.29,-5.3,;30.09,-.7,;30.07,.84,;31.43,-1.45,;32.76,-.68,;32.75,.86,;34.07,1.65,;34.06,3.18,;35.39,3.97,;35.38,5.51,;34.03,6.27,;36.7,6.29,;34.11,-1.44,;34.12,-2.98,;35.43,-.65,;36.78,-1.41,;36.79,-2.95,;38.13,-3.7,;38.1,-.63,;38.09,.91,;39.44,-1.38,;40.77,-.6,;40.76,.94,;39.42,1.7,;42.09,1.72,;42.11,-1.35,;43.43,-.57,;42.13,-2.89,)|
Show InChI InChI=1S/C71H100FN21O19S2/c1-8-33(4)57(83-36(7)95)69(110)91-52(30-114)66(107)92-56(32(2)3)68(109)89-48(20-37-25-78-43-13-10-9-12-41(37)43)63(104)85-46(17-18-53(73)96)62(103)88-50(24-55(98)99)65(106)87-47(21-38-26-79-44-16-15-39(72)22-42(38)44)60(101)80-28-54(97)82-34(5)59(100)86-49(23-40-27-76-31-81-40)64(105)84-45(14-11-19-77-71(74)75)61(102)90-51(29-113)67(108)93-58(35(6)94)70(111)112/h9-10,12-13,15-16,22,25-27,31-35,45-52,56-58,78-79,94,113-114H,8,11,14,17-21,23-24,28-30H2,1-7H3,(H2,73,96)(H,76,81)(H,80,101)(H,82,97)(H,83,95)(H,84,105)(H,85,104)(H,86,100)(H,87,106)(H,88,103)(H,89,109)(H,90,102)(H,91,110)(H,92,107)(H,93,108)(H,98,99)(H,111,112)(H4,74,75,77)/t33-,34-,35+,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 35n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to complement C3


J Med Chem 49: 4616-22 (2006)


Article DOI: 10.1021/jm0603419
BindingDB Entry DOI: 10.7270/Q2WQ04MN
More data for this
Ligand-Target Pair