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Compile Data Set for Download or QSAR

Found 45 hits of ic50 for UniProtKB: P01024   
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
Complement C3


(Homo sapiens (Human))
BDBM50191375
PNG
(Ac-ICV(1MeW)QDWGAHRCT-NH2 | CHEMBL427239)
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](Cc1cn(C)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:76.80,4.4,40.41,18.17,91.95,57.58,108.112,109.115,wD:2.2,81.84,49.50,25.24,12.11,102.106,(-7.85,-4.07,;-7.83,-5.61,;-6.5,-6.36,;-5.17,-5.58,;-6.49,-7.9,;-7.82,-8.68,;-9.16,-7.93,;-10.48,-8.71,;-9.17,-6.4,;-5.14,-8.66,;-5.13,-10.21,;-3.81,-7.88,;-2.47,-8.64,;-2.45,-10.18,;-1.11,-10.94,;-1.14,-7.85,;-1.16,-6.32,;.2,-8.61,;1.53,-7.83,;1.52,-6.29,;2.85,-5.51,;.17,-5.53,;2.87,-8.59,;2.89,-10.13,;4.2,-7.81,;5.54,-8.56,;5.55,-10.11,;6.89,-10.86,;8.29,-10.22,;9.33,-11.36,;10.86,-11.18,;8.58,-12.7,;9.06,-14.16,;8.04,-15.31,;6.54,-15.01,;6.05,-13.55,;7.07,-12.4,;6.86,-7.78,;6.85,-6.24,;8.2,-8.54,;9.54,-7.77,;9.52,-6.23,;10.84,-5.44,;10.83,-3.9,;9.49,-3.13,;12.16,-3.12,;10.87,-8.52,;10.88,-10.06,;12.2,-7.73,;13.54,-8.48,;13.55,-10.03,;14.89,-10.79,;16.21,-10,;14.91,-12.33,;14.87,-7.7,;14.85,-6.17,;16.2,-8.47,;17.53,-7.69,;17.52,-6.15,;18.85,-5.36,;20.26,-5.98,;21.28,-4.82,;20.49,-3.5,;20.96,-2.03,;19.92,-.89,;18.42,-1.23,;17.38,-.1,;17.95,-2.7,;19,-3.83,;18.88,-8.44,;18.89,-9.98,;20.2,-7.65,;21.54,-8.42,;22.86,-7.64,;22.85,-6.09,;24.21,-8.39,;25.54,-7.61,;25.52,-6.07,;26.87,-8.37,;26.88,-9.91,;28.2,-7.58,;29.54,-8.34,;29.55,-9.88,;30.89,-10.63,;32.29,-10,;33.33,-11.13,;32.57,-12.47,;31.06,-12.16,;30.86,-7.56,;30.85,-6.02,;32.2,-8.32,;33.53,-7.54,;33.52,-6,;34.85,-5.22,;34.84,-3.68,;36.16,-2.89,;36.15,-1.35,;34.8,-.59,;37.47,-.57,;34.88,-8.3,;34.89,-9.84,;36.21,-7.52,;37.55,-8.27,;37.57,-9.81,;38.91,-10.56,;38.87,-7.49,;38.86,-5.95,;40.22,-8.24,;41.55,-7.46,;41.54,-5.92,;40.19,-5.17,;42.86,-5.14,;42.88,-8.21,;44.21,-7.43,;42.9,-9.75,)|
Show InChI InChI=1S/C72H102FN21O19S2/c1-9-34(4)58(83-37(7)96)70(111)91-52(31-115)67(108)92-57(33(2)3)69(110)89-48(22-39-29-94(8)53-15-11-10-13-42(39)53)64(105)85-46(18-19-54(74)97)63(104)88-50(25-56(99)100)66(107)87-47(21-38-26-79-44-17-16-40(73)23-43(38)44)61(102)80-28-55(98)82-35(5)60(101)86-49(24-41-27-77-32-81-41)65(106)84-45(14-12-20-78-72(75)76)62(103)90-51(30-114)68(109)93-59(36(6)95)71(112)113/h10-11,13,15-17,23,26-27,29,32-36,45-52,57-59,79,95,114-115H,9,12,14,18-22,24-25,28,30-31H2,1-8H3,(H2,74,97)(H,77,81)(H,80,102)(H,82,98)(H,83,96)(H,84,106)(H,85,105)(H,86,101)(H,87,107)(H,88,104)(H,89,110)(H,90,103)(H,91,111)(H,92,108)(H,93,109)(H,99,100)(H,112,113)(H4,75,76,78)/t34-,35-,36+,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 205n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of complement C3


J Med Chem 49: 4616-22 (2006)


Article DOI: 10.1021/jm0603419
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50370743
PNG
(CHEMBL1791380)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)OC |wU:83.95,33.40,102.108,14.14,4.4,68.72,100.105,50.64,wD:94.101,42.48,73.84,18.31,8.10,2.2,(3.06,-12.24,;3.03,-10.77,;1.66,-10.05,;.32,-10.8,;1.62,-8.56,;2.96,-7.8,;4.33,-8.52,;4.36,-10,;5.68,-7.76,;5.65,-6.27,;4.27,-5.56,;7.04,-8.47,;8.38,-7.7,;8.36,-6.23,;9.76,-8.41,;11.1,-7.65,;12.46,-8.35,;12.5,-9.85,;13.81,-7.59,;13.78,-6.12,;12.41,-5.4,;10.98,-6.03,;9.86,-4.97,;8.34,-5.15,;10.67,-3.66,;10.16,-2.25,;11.18,-1.13,;12.72,-1.42,;13.24,-2.81,;12.21,-3.93,;15.18,-8.3,;16.52,-7.54,;16.5,-6.07,;17.89,-8.26,;17.93,-9.74,;16.58,-10.51,;16.61,-11.98,;17.98,-12.7,;15.27,-12.76,;19.23,-7.5,;20.59,-8.22,;20.63,-9.7,;21.94,-7.46,;21.92,-5.98,;20.54,-5.25,;19.18,-6.01,;20.5,-3.78,;23.31,-8.16,;24.66,-7.41,;24.63,-5.93,;26.03,-8.12,;26.06,-9.61,;24.72,-10.37,;23.27,-9.79,;22.2,-10.91,;23.06,-12.19,;22.6,-13.6,;23.67,-14.68,;25.2,-14.35,;25.66,-12.93,;24.59,-11.85,;27.36,-7.35,;28.73,-8.06,;28.75,-9.55,;30.06,-7.3,;31.43,-8.01,;32.77,-7.24,;32.73,-5.77,;34.13,-7.97,;34.17,-9.44,;35.47,-7.2,;36.83,-7.92,;36.85,-9.39,;38.18,-7.14,;38.14,-5.67,;36.77,-4.95,;35.36,-5.58,;34.27,-4.51,;35.03,-3.21,;36.56,-3.43,;39.55,-7.85,;40.9,-7.1,;40.86,-5.63,;42.26,-7.81,;42.3,-9.3,;40.95,-10.07,;40.97,-11.54,;39.62,-12.28,;39.67,-13.82,;38.31,-14.57,;41.05,-14.54,;43.59,-7.04,;44.96,-7.75,;44.99,-9.24,;46.31,-6.99,;46.28,-5.51,;44.9,-4.8,;47.68,-7.69,;49.03,-6.95,;48.99,-5.47,;50.41,-7.66,;51.72,-6.89,;50.45,-9.14,;51.81,-9.86,;49.08,-9.9,;9.78,-9.9,;8.43,-10.67,;11.15,-10.62,;.28,-7.85,;.24,-6.38,;-1.06,-8.6,;-2.43,-7.89,)|
Show InChI InChI=1S/C71H103N21O18S2/c1-9-35(4)58(70(109)110-8)91-67(106)51(32-112)89-69(108)57(34(2)3)90-65(104)47(24-39-30-92(7)52-19-13-11-16-42(39)52)85-61(100)45(20-21-53(72)94)84-64(103)49(26-55(96)97)87-63(102)46(23-38-27-78-43-17-12-10-15-41(38)43)82-54(95)29-79-59(98)36(5)81-62(101)48(25-40-28-76-33-80-40)86-60(99)44(18-14-22-77-71(74)75)83-66(105)50(31-111)88-68(107)56(73)37(6)93/h10-13,15-17,19,27-28,30,33-37,44-51,56-58,78,93,111-112H,9,14,18,20-26,29,31-32,73H2,1-8H3,(H2,72,94)(H,76,80)(H,79,98)(H,81,101)(H,82,95)(H,83,105)(H,84,103)(H,85,100)(H,86,99)(H,87,102)(H,88,107)(H,89,108)(H,90,104)(H,91,106)(H,96,97)(H4,74,75,77)/t35-,36-,37+,44-,45-,46-,47-,48-,49-,50-,51-,56-,57-,58-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 205n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of complement C3


J Med Chem 49: 4616-22 (2006)


Article DOI: 10.1021/jm0603419
More data for this
Ligand-Target Pair
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
Article
PubMed
n/an/a 446n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of complement C3


J Med Chem 49: 4616-22 (2006)


Article DOI: 10.1021/jm0603419
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159043
PNG
(Ac-I[CV(2Nal)QDWGAHRC]T-NH2 | CHEMBL427664)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C73H101N21O18S2/c1-8-36(4)59(84-39(7)96)72(112)92-54-33-114-113-32-53(70(110)94-60(38(6)95)61(75)101)91-64(104)47(18-13-23-79-73(76)77)85-67(107)51(27-44-30-78-34-82-44)87-62(102)37(5)83-56(98)31-81-63(103)50(26-43-29-80-46-17-12-11-16-45(43)46)88-68(108)52(28-57(99)100)89-65(105)48(21-22-55(74)97)86-66(106)49(90-71(111)58(35(2)3)93-69(54)109)25-40-19-20-41-14-9-10-15-42(41)24-40/h9-12,14-17,19-20,24,29-30,34-38,47-54,58-60,80,95H,8,13,18,21-23,25-28,31-33H2,1-7H3,(H2,74,97)(H2,75,101)(H,78,82)(H,81,103)(H,83,98)(H,84,96)(H,85,107)(H,86,106)(H,87,102)(H,88,108)(H,89,105)(H,90,111)(H,91,104)(H,92,112)(H,93,109)(H,94,110)(H,99,100)(H4,76,77,79)/t36-,37-,38+,47-,48-,49-,50-,51+,52+,53-,54-,58-,59-,60-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50191376
PNG
(Ac-ICV(2Nal)QDWGAHRCT-NH2 | CHEMBL434556)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)OC |wU:68.72,100.105,50.64,83.95,33.40,14.14,102.108,4.4,wD:2.2,94.101,42.48,73.84,18.31,8.10,(-5.9,-45.33,;-5.92,-43.79,;-7.26,-43.03,;-8.58,-43.81,;-7.27,-41.49,;-5.94,-40.71,;-4.6,-41.46,;-4.59,-43.01,;-3.27,-40.68,;-3.28,-39.14,;-4.63,-38.38,;-1.93,-41.44,;-.6,-40.66,;-.62,-39.12,;.74,-41.41,;2.06,-40.63,;3.41,-41.38,;3.42,-42.93,;4.74,-40.6,;4.73,-39.06,;3.39,-38.3,;2.07,-39.09,;.73,-38.34,;.71,-36.79,;-.63,-36.03,;-.64,-34.5,;.69,-33.71,;2.03,-34.48,;2.04,-36.01,;3.38,-36.76,;6.08,-41.36,;7.41,-40.58,;7.4,-39.03,;8.75,-41.34,;8.76,-42.88,;7.44,-43.66,;7.45,-45.2,;8.79,-45.95,;6.12,-45.99,;10.07,-40.54,;11.41,-41.31,;11.42,-42.86,;12.74,-40.52,;12.73,-38.99,;11.38,-38.23,;10.05,-39,;11.37,-36.69,;14.09,-41.28,;15.42,-40.51,;15.41,-38.97,;16.76,-41.26,;16.77,-42.81,;15.45,-43.59,;14.03,-42.98,;13.02,-44.14,;13.8,-45.46,;13.33,-46.94,;14.38,-48.07,;15.89,-47.74,;16.35,-46.27,;15.31,-45.13,;18.08,-40.48,;19.41,-41.25,;19.43,-42.79,;20.75,-40.47,;22.1,-41.21,;23.43,-40.44,;23.42,-38.9,;24.77,-41.19,;24.79,-42.74,;26.1,-40.41,;27.44,-41.17,;27.45,-42.71,;28.77,-40.38,;28.76,-38.84,;27.41,-38.08,;26.01,-38.73,;24.97,-37.59,;25.72,-36.25,;27.24,-36.55,;30.12,-41.13,;31.45,-40.36,;31.43,-38.81,;32.79,-41.11,;32.8,-42.66,;31.48,-43.44,;31.49,-44.98,;30.16,-45.76,;30.17,-47.3,;31.52,-48.06,;28.86,-48.06,;34.11,-40.32,;35.44,-41.09,;35.46,-42.64,;36.78,-40.31,;36.76,-38.77,;35.42,-38.01,;38.13,-41.05,;39.46,-40.28,;39.45,-38.73,;40.8,-41.03,;42.16,-40.22,;40.82,-42.57,;42.16,-43.33,;39.49,-43.35,;.75,-42.96,;-.57,-43.74,;2.09,-43.72,;-8.61,-40.73,;-8.62,-39.19,;-9.93,-41.51,;-11.28,-40.76,)|
Show InChI InChI=1S/C72H102N20O18S2/c1-8-36(4)59(71(109)110-7)92-68(106)53(33-112)90-70(108)58(35(2)3)91-66(104)48(25-39-19-20-40-14-9-10-15-41(40)24-39)86-62(100)47(21-22-54(73)94)85-65(103)51(28-56(96)97)88-64(102)49(26-42-29-79-45-17-12-11-16-44(42)45)83-55(95)31-80-60(98)37(5)82-63(101)50(27-43-30-77-34-81-43)87-61(99)46(18-13-23-78-72(75)76)84-67(105)52(32-111)89-69(107)57(74)38(6)93/h9-12,14-17,19-20,24,29-30,34-38,46-53,57-59,79,93,111-112H,8,13,18,21-23,25-28,31-33,74H2,1-7H3,(H2,73,94)(H,77,81)(H,80,98)(H,82,101)(H,83,95)(H,84,105)(H,85,103)(H,86,100)(H,87,99)(H,88,102)(H,89,107)(H,90,108)(H,91,104)(H,92,106)(H,96,97)(H4,75,76,78)/t36-,37-,38+,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-,59-/m0/s1
PDB

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n/an/a 545n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of complement C3


J Med Chem 49: 4616-22 (2006)


Article DOI: 10.1021/jm0603419
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159050
PNG
(Ac-I[CV(Bpa)QDWGAHRC]T-NH2 | CHEMBL430275)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C76H103N21O19S2/c1-8-38(4)61(87-41(7)99)75(116)95-56-35-118-117-34-55(73(114)97-62(40(6)98)64(78)105)94-67(108)49(19-14-26-82-76(79)80)88-70(111)53(29-46-32-81-36-85-46)90-65(106)39(5)86-58(101)33-84-66(107)52(28-45-31-83-48-18-13-12-17-47(45)48)91-71(112)54(30-59(102)103)92-68(109)50(24-25-57(77)100)89-69(110)51(93-74(115)60(37(2)3)96-72(56)113)27-42-20-22-44(23-21-42)63(104)43-15-10-9-11-16-43/h9-13,15-18,20-23,31-32,36-40,49-56,60-62,83,98H,8,14,19,24-30,33-35H2,1-7H3,(H2,77,100)(H2,78,105)(H,81,85)(H,84,107)(H,86,101)(H,87,99)(H,88,111)(H,89,110)(H,90,106)(H,91,112)(H,92,109)(H,93,115)(H,94,108)(H,95,116)(H,96,113)(H,97,114)(H,102,103)(H4,79,80,82)/t38-,39-,40+,49-,50-,51-,52-,53+,54+,55-,56-,60-,61-,62-/m0/s1
PDB

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antibodypedia
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UniChem
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n/an/a 600n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159068
PNG
(Ac-I[CV(Bta)QDWGAHRC]T | CHEMBL408836)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@](C)(NC(=O)[C@@H](NC1=O)C(C)C)c1csc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C71H98N20O19S3/c1-9-34(4)56(81-37(7)93)66(106)87-50-31-113-112-30-49(65(105)90-57(36(6)92)68(108)109)86-60(100)44(18-14-22-76-70(73)74)82-62(102)47(24-39-27-75-32-79-39)83-58(98)35(5)80-53(95)28-78-59(99)46(23-38-26-77-43-17-12-10-15-40(38)43)84-63(103)48(25-54(96)97)85-61(101)45(20-21-52(72)94)88-69(110)71(8,42-29-111-51-19-13-11-16-41(42)51)91-67(107)55(33(2)3)89-64(50)104/h10-13,15-17,19,26-27,29,32-36,44-50,55-57,77,92H,9,14,18,20-25,28,30-31H2,1-8H3,(H2,72,94)(H,75,79)(H,78,99)(H,80,95)(H,81,93)(H,82,102)(H,83,98)(H,84,103)(H,85,101)(H,86,100)(H,87,106)(H,88,110)(H,89,104)(H,90,105)(H,91,107)(H,96,97)(H,108,109)(H4,73,74,76)/t34-,35-,36+,44-,45-,46-,47+,48+,49-,50-,55-,56-,57-,71-/m0/s1
PDB

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UniChem
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n/an/a 800n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159049
PNG
(Ac-I[CV(Bta)QDWGAHRC]T-NH2 | CHEMBL439706)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@](C)(NC(=O)[C@@H](NC1=O)C(C)C)c1csc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C71H99N21O18S3/c1-9-34(4)56(82-37(7)94)67(108)88-50-31-113-112-30-49(66(107)91-57(36(6)93)58(73)99)87-61(102)44(18-14-22-77-70(74)75)83-63(104)47(24-39-27-76-32-80-39)84-59(100)35(5)81-53(96)28-79-60(101)46(23-38-26-78-43-17-12-10-15-40(38)43)85-64(105)48(25-54(97)98)86-62(103)45(20-21-52(72)95)89-69(110)71(8,42-29-111-51-19-13-11-16-41(42)51)92-68(109)55(33(2)3)90-65(50)106/h10-13,15-17,19,26-27,29,32-36,44-50,55-57,78,93H,9,14,18,20-25,28,30-31H2,1-8H3,(H2,72,95)(H2,73,99)(H,76,80)(H,79,101)(H,81,96)(H,82,94)(H,83,104)(H,84,100)(H,85,105)(H,86,103)(H,87,102)(H,88,108)(H,89,110)(H,90,106)(H,91,107)(H,92,109)(H,97,98)(H4,74,75,77)/t34-,35-,36+,44-,45-,46-,47+,48+,49-,50-,55-,56-,57-,71-/m0/s1
PDB

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UniChem
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n/an/a 800n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50370744
PNG
(CHEMBL1791379)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccc(C)cc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)OC |wU:83.95,33.40,102.108,14.14,4.4,68.72,100.105,50.64,wD:94.101,42.48,73.84,18.31,8.10,2.2,(3.05,-12.69,;3.02,-11.22,;1.66,-10.5,;.31,-11.26,;1.63,-8.99,;2.96,-8.23,;4.33,-8.94,;4.35,-10.43,;5.68,-8.18,;5.65,-6.69,;4.26,-5.96,;7.05,-8.89,;8.38,-8.12,;8.35,-6.63,;9.75,-8.85,;11.09,-8.08,;12.45,-8.79,;12.47,-10.27,;13.8,-8.02,;13.76,-6.53,;12.39,-5.81,;10.96,-6.45,;9.86,-5.37,;10.65,-4.05,;10.13,-2.64,;11.16,-1.52,;12.7,-1.81,;13.74,-.69,;13.22,-3.2,;12.19,-4.34,;15.17,-8.72,;16.51,-7.97,;16.48,-6.49,;17.88,-8.69,;17.91,-10.18,;16.57,-10.95,;16.6,-12.44,;17.97,-13.16,;15.25,-13.2,;19.21,-7.92,;20.58,-8.63,;20.6,-10.13,;21.93,-7.87,;21.9,-6.38,;20.51,-5.67,;19.16,-6.42,;20.49,-4.18,;23.3,-8.57,;24.65,-7.82,;24.61,-6.34,;26.02,-8.53,;26.04,-10.04,;24.7,-10.8,;23.25,-10.22,;22.19,-11.34,;23.05,-12.62,;22.59,-14.05,;23.66,-15.12,;25.19,-14.8,;25.65,-13.36,;24.58,-12.28,;27.35,-7.76,;28.72,-8.48,;28.74,-9.97,;30.06,-7.7,;31.42,-8.42,;32.75,-7.66,;32.72,-6.17,;34.12,-8.37,;34.14,-9.87,;35.46,-7.61,;36.82,-8.33,;36.85,-9.82,;38.17,-7.55,;38.14,-6.08,;36.76,-5.35,;35.35,-5.98,;34.27,-4.9,;35.03,-3.6,;36.55,-3.82,;39.54,-8.26,;40.89,-7.52,;40.87,-6.03,;42.27,-8.23,;42.29,-9.72,;40.96,-10.48,;40.98,-11.98,;39.63,-12.72,;39.68,-14.26,;38.32,-15.01,;41.06,-14.99,;43.6,-7.44,;44.95,-8.17,;44.99,-9.65,;46.3,-7.4,;46.28,-5.91,;44.89,-5.19,;47.67,-8.1,;49.02,-7.36,;48.98,-5.88,;50.41,-8.08,;51.71,-7.3,;50.44,-9.57,;51.8,-10.28,;49.07,-10.32,;9.79,-10.34,;8.44,-11.09,;11.16,-11.06,;.27,-8.28,;.24,-6.79,;-1.07,-9.05,;-2.43,-8.32,)|
Show InChI InChI=1S/C71H103N21O18S2/c1-9-35(5)58(70(109)110-8)92-67(106)52(31-112)90-69(108)57(33(2)3)91-65(104)48(23-39-27-79-44-17-16-34(4)21-42(39)44)86-61(100)46(18-19-53(72)94)85-64(103)50(25-55(96)97)88-63(102)47(22-38-26-78-43-14-11-10-13-41(38)43)83-54(95)29-80-59(98)36(6)82-62(101)49(24-40-28-76-32-81-40)87-60(99)45(15-12-20-77-71(74)75)84-66(105)51(30-111)89-68(107)56(73)37(7)93/h10-11,13-14,16-17,21,26-28,32-33,35-37,45-52,56-58,78-79,93,111-112H,9,12,15,18-20,22-25,29-31,73H2,1-8H3,(H2,72,94)(H,76,81)(H,80,98)(H,82,101)(H,83,95)(H,84,105)(H,85,103)(H,86,100)(H,87,99)(H,88,102)(H,89,107)(H,90,108)(H,91,104)(H,92,106)(H,96,97)(H4,74,75,77)/t35-,36-,37+,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of complement C3


J Med Chem 49: 4616-22 (2006)


Article DOI: 10.1021/jm0603419
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159063
PNG
(Ac-I[CV(Bpa)QDWGAHRC]T | CHEMBL263817)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C76H102N20O20S2/c1-8-38(4)61(86-41(7)98)74(114)94-56-35-118-117-34-55(72(112)96-62(40(6)97)75(115)116)93-66(106)49(19-14-26-81-76(78)79)87-69(109)53(29-46-32-80-36-84-46)89-64(104)39(5)85-58(100)33-83-65(105)52(28-45-31-82-48-18-13-12-17-47(45)48)90-70(110)54(30-59(101)102)91-67(107)50(24-25-57(77)99)88-68(108)51(92-73(113)60(37(2)3)95-71(56)111)27-42-20-22-44(23-21-42)63(103)43-15-10-9-11-16-43/h9-13,15-18,20-23,31-32,36-40,49-56,60-62,82,97H,8,14,19,24-30,33-35H2,1-7H3,(H2,77,99)(H,80,84)(H,83,105)(H,85,100)(H,86,98)(H,87,109)(H,88,108)(H,89,104)(H,90,110)(H,91,107)(H,92,113)(H,93,106)(H,94,114)(H,95,111)(H,96,112)(H,101,102)(H,115,116)(H4,78,79,81)/t38-,39-,40+,49-,50-,51-,52-,53+,54?,55-,56-,60-,61-,62-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50370746
PNG
(CHEMBL1791381)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)OC |wU:82.94,32.39,101.107,14.14,4.4,67.71,99.104,49.63,wD:41.47,72.83,18.30,8.10,2.2,93.100,(3.07,-12.26,;3.04,-10.78,;1.67,-10.07,;.34,-10.83,;1.64,-8.58,;2.98,-7.82,;4.34,-8.54,;4.38,-10.03,;5.69,-7.77,;5.67,-6.29,;4.29,-5.57,;7.06,-8.48,;8.39,-7.72,;8.37,-6.24,;9.78,-8.44,;11.11,-7.66,;12.47,-8.38,;12.49,-9.86,;13.82,-7.61,;13.78,-6.14,;12.41,-5.42,;10.98,-6.05,;9.87,-4.98,;10.67,-3.67,;10.17,-2.26,;11.19,-1.14,;12.72,-1.43,;13.24,-2.82,;12.21,-3.94,;15.19,-8.31,;16.53,-7.55,;16.5,-6.09,;17.9,-8.28,;17.93,-9.75,;16.58,-10.52,;16.62,-12.01,;17.99,-12.71,;15.27,-12.78,;19.23,-7.51,;20.6,-8.23,;20.62,-9.71,;21.95,-7.47,;21.91,-6,;20.53,-5.28,;19.18,-6.03,;20.51,-3.79,;23.32,-8.17,;24.66,-7.42,;24.63,-5.95,;26.03,-8.13,;26.07,-9.62,;24.72,-10.39,;23.27,-9.82,;22.2,-10.93,;23.06,-12.2,;22.61,-13.63,;23.68,-14.69,;25.21,-14.37,;25.66,-12.94,;24.59,-11.86,;27.37,-7.36,;28.73,-8.08,;28.75,-9.57,;30.07,-7.32,;31.44,-8.02,;32.77,-7.26,;32.74,-5.78,;34.14,-7.98,;34.17,-9.46,;35.47,-7.21,;36.84,-7.93,;36.86,-9.41,;38.18,-7.16,;38.15,-5.7,;36.77,-4.97,;35.35,-5.6,;34.28,-4.52,;35.04,-3.22,;36.57,-3.44,;39.55,-7.86,;40.9,-7.12,;40.87,-5.64,;42.27,-7.83,;42.29,-9.32,;40.96,-10.08,;40.98,-11.56,;39.63,-12.31,;39.68,-13.85,;38.32,-14.58,;41.06,-14.56,;43.6,-7.05,;44.96,-7.77,;44.98,-9.25,;46.31,-7,;46.27,-5.52,;44.9,-4.81,;47.68,-7.7,;49.03,-6.96,;49,-5.47,;50.42,-7.67,;51.73,-6.89,;50.45,-9.16,;51.82,-9.86,;49.09,-9.91,;9.8,-9.92,;8.45,-10.68,;11.17,-10.64,;.3,-7.87,;.25,-6.39,;-1.04,-8.63,;-2.41,-7.91,)|
Show InChI InChI=1S/C70H101N21O18S2/c1-8-34(4)57(69(108)109-7)91-66(105)51(31-111)89-68(107)56(33(2)3)90-64(103)47(23-38-27-78-43-17-12-10-15-41(38)43)85-60(99)45(19-20-52(71)93)84-63(102)49(25-54(95)96)87-62(101)46(22-37-26-77-42-16-11-9-14-40(37)42)82-53(94)29-79-58(97)35(5)81-61(100)48(24-39-28-75-32-80-39)86-59(98)44(18-13-21-76-70(73)74)83-65(104)50(30-110)88-67(106)55(72)36(6)92/h9-12,14-17,26-28,32-36,44-51,55-57,77-78,92,110-111H,8,13,18-25,29-31,72H2,1-7H3,(H2,71,93)(H,75,80)(H,79,97)(H,81,100)(H,82,94)(H,83,104)(H,84,102)(H,85,99)(H,86,98)(H,87,101)(H,88,106)(H,89,107)(H,90,103)(H,91,105)(H,95,96)(H4,73,74,76)/t34-,35-,36+,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-/m0/s1
PDB

UniProtKB/SwissProt

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KEGG
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UniChem
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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of complement C3


J Med Chem 49: 4616-22 (2006)


Article DOI: 10.1021/jm0603419
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159057
PNG
(Ac-I[CV(2Igl)QDWGAHRC]T-NH2 | CHEMBL437270)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C1CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C71H101N21O18S2/c1-8-34(4)56(82-37(7)94)69(109)89-51-31-112-111-30-50(67(107)91-57(36(6)93)59(73)99)88-62(102)45(18-13-23-77-71(74)75)83-64(104)48(25-40-28-76-32-80-40)85-60(100)35(5)81-53(96)29-79-61(101)47(24-39-27-78-44-17-12-11-16-42(39)44)86-65(105)49(26-54(97)98)87-63(103)46(21-22-52(72)95)84-70(110)58(43-20-19-38-14-9-10-15-41(38)43)92-68(108)55(33(2)3)90-66(51)106/h9-12,14-17,27-28,32-36,43,45-51,55-58,78,93H,8,13,18-26,29-31H2,1-7H3,(H2,72,95)(H2,73,99)(H,76,80)(H,79,101)(H,81,96)(H,82,94)(H,83,104)(H,84,110)(H,85,100)(H,86,105)(H,87,103)(H,88,102)(H,89,109)(H,90,106)(H,91,107)(H,92,108)(H,97,98)(H4,74,75,77)/t34-,35-,36+,43?,45-,46-,47-,48+,49+,50-,51-,55-,56-,57-,58-/m0/s1
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UniChem
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159069
PNG
(Ac-I[CV(2Nal)QDWGAHRC]T | CHEMBL437245)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C73H100N20O19S2/c1-8-36(4)59(83-39(7)95)71(110)91-54-33-114-113-32-53(69(108)93-60(38(6)94)72(111)112)90-63(102)47(18-13-23-78-73(75)76)84-66(105)51(27-44-30-77-34-81-44)86-61(100)37(5)82-56(97)31-80-62(101)50(26-43-29-79-46-17-12-11-16-45(43)46)87-67(106)52(28-57(98)99)88-64(103)48(21-22-55(74)96)85-65(104)49(89-70(109)58(35(2)3)92-68(54)107)25-40-19-20-41-14-9-10-15-42(41)24-40/h9-12,14-17,19-20,24,29-30,34-38,47-54,58-60,79,94H,8,13,18,21-23,25-28,31-33H2,1-7H3,(H2,74,96)(H,77,81)(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)(H4,75,76,78)/t36-,37-,38+,47-,48-,49-,50-,51+,52+,53-,54-,58-,59-,60-/m0/s1
PDB

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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159054
PNG
(Ac-I[CV(2Igl)QDWGAHRC]T | CHEMBL445418)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C1CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C71H100N20O19S2/c1-8-34(4)56(81-37(7)93)68(107)88-51-31-112-111-30-50(66(105)90-57(36(6)92)70(109)110)87-61(100)45(18-13-23-76-71(73)74)82-63(102)48(25-40-28-75-32-79-40)84-59(98)35(5)80-53(95)29-78-60(99)47(24-39-27-77-44-17-12-11-16-42(39)44)85-64(103)49(26-54(96)97)86-62(101)46(21-22-52(72)94)83-69(108)58(43-20-19-38-14-9-10-15-41(38)43)91-67(106)55(33(2)3)89-65(51)104/h9-12,14-17,27-28,32-36,43,45-51,55-58,77,92H,8,13,18-26,29-31H2,1-7H3,(H2,72,94)(H,75,79)(H,78,99)(H,80,95)(H,81,93)(H,82,102)(H,83,108)(H,84,98)(H,85,103)(H,86,101)(H,87,100)(H,88,107)(H,89,104)(H,90,105)(H,91,106)(H,96,97)(H,109,110)(H4,73,74,76)/t34-,35-,36+,43?,45-,46-,47-,48+,49+,50-,51-,55-,56-,57-,58-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159047
PNG
(Ac-I[CVWQDWG(Abu)HRC]T-NH2 | CHEMBL414282)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C(CC)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C72H101N21O19S2/c1-8-35(5)58(82-37(7)95)70(110)91-53-32-114-113-31-52(68(108)93-59(36(6)94)71(111)112)90-62(102)46(19-14-22-77-72(74)75)84-65(105)50(25-40-29-76-33-81-40)87-61(101)43(9-2)83-55(97)30-80-60(100)48(23-38-27-78-44-17-12-10-15-41(38)44)86-66(106)51(26-56(98)99)88-63(103)47(20-21-54(73)96)85-64(104)49(89-69(109)57(34(3)4)92-67(53)107)24-39-28-79-45-18-13-11-16-42(39)45/h10-13,15-18,27-29,33-36,43,46-53,57-59,78-79,94H,8-9,14,19-26,30-32H2,1-7H3,(H2,73,96)(H,76,81)(H,80,100)(H,82,95)(H,83,97)(H,84,105)(H,85,104)(H,86,106)(H,87,101)(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)/t35-,36+,43?,46+,47-,48-,49+,50-,51+,52+,53-,57-,58-,59-/m0/s1
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UniChem
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50370745
PNG
(CHEMBL1791382)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)OC |wU:83.95,33.40,102.108,14.14,4.4,68.72,100.105,50.64,wD:94.101,42.48,73.84,18.31,8.10,2.2,(3.06,-12.72,;3.03,-11.24,;1.67,-10.52,;.32,-11.29,;1.64,-9.02,;2.97,-8.25,;4.34,-8.97,;4.36,-10.46,;5.69,-8.2,;5.66,-6.72,;4.27,-5.99,;7.06,-8.91,;8.39,-8.15,;8.36,-6.66,;9.76,-8.87,;11.1,-8.1,;12.46,-8.82,;12.48,-10.3,;13.81,-8.05,;13.77,-6.56,;12.4,-5.84,;10.97,-6.47,;9.87,-5.4,;10.66,-4.08,;10.14,-2.68,;11.17,-1.55,;12.71,-1.83,;13.75,-.71,;13.23,-3.24,;12.2,-4.36,;15.17,-8.76,;16.51,-7.99,;16.48,-6.52,;17.88,-8.71,;17.91,-10.21,;16.57,-10.97,;16.6,-12.46,;17.97,-13.18,;15.25,-13.23,;19.21,-7.94,;20.58,-8.66,;20.6,-10.15,;21.93,-7.9,;21.89,-6.41,;20.51,-5.69,;19.16,-6.45,;20.49,-4.2,;23.3,-8.6,;24.65,-7.85,;24.61,-6.36,;26.02,-8.56,;26.04,-10.06,;24.7,-10.83,;23.25,-10.25,;22.19,-11.36,;23.05,-12.64,;22.59,-14.07,;23.66,-15.15,;25.19,-14.82,;25.65,-13.38,;24.58,-12.31,;27.35,-7.79,;28.72,-8.5,;28.74,-9.99,;30.05,-7.73,;31.42,-8.45,;32.75,-7.68,;32.72,-6.19,;34.12,-8.4,;34.14,-9.9,;35.46,-7.63,;36.82,-8.35,;36.84,-9.85,;38.17,-7.58,;38.13,-6.1,;36.75,-5.37,;35.34,-6,;34.26,-4.93,;35.02,-3.62,;36.55,-3.85,;39.53,-8.29,;40.88,-7.54,;40.86,-6.05,;42.27,-8.25,;42.29,-9.75,;40.95,-10.51,;40.97,-12,;39.63,-12.75,;39.67,-14.29,;38.31,-15.04,;41.05,-15.01,;43.59,-7.47,;44.94,-8.2,;44.98,-9.68,;46.29,-7.43,;46.27,-5.94,;44.89,-5.22,;47.66,-8.13,;49.01,-7.39,;48.98,-5.91,;50.4,-8.1,;51.71,-7.32,;50.43,-9.6,;51.8,-10.31,;49.06,-10.34,;9.8,-10.36,;8.45,-11.12,;11.17,-11.08,;.28,-8.31,;.25,-6.82,;-1.06,-9.07,;-2.42,-8.35,)|
Show InChI InChI=1S/C70H100FN21O18S2/c1-8-33(4)57(69(109)110-7)92-66(106)51(30-112)90-68(108)56(32(2)3)91-64(104)47(21-37-26-79-43-16-15-38(71)22-41(37)43)86-60(100)45(17-18-52(72)94)85-63(103)49(24-54(96)97)88-62(102)46(20-36-25-78-42-13-10-9-12-40(36)42)83-53(95)28-80-58(98)34(5)82-61(101)48(23-39-27-76-31-81-39)87-59(99)44(14-11-19-77-70(74)75)84-65(105)50(29-111)89-67(107)55(73)35(6)93/h9-10,12-13,15-16,22,25-27,31-35,44-51,55-57,78-79,93,111-112H,8,11,14,17-21,23-24,28-30,73H2,1-7H3,(H2,72,94)(H,76,81)(H,80,98)(H,82,101)(H,83,95)(H,84,105)(H,85,103)(H,86,100)(H,87,99)(H,88,102)(H,89,107)(H,90,108)(H,91,104)(H,92,106)(H,96,97)(H4,74,75,77)/t33-,34-,35+,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-/m0/s1
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n/an/a 1.74E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of complement C3


J Med Chem 49: 4616-22 (2006)


Article DOI: 10.1021/jm0603419
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159046
PNG
(Ac-I[CV(1Nal)QDWGAHRC]T | CHEMBL262797)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C73H100N20O19S2/c1-8-36(4)59(83-39(7)95)71(110)91-54-33-114-113-32-53(69(108)93-60(38(6)94)72(111)112)90-63(102)47(21-14-24-78-73(75)76)84-66(105)51(27-43-30-77-34-81-43)86-61(100)37(5)82-56(97)31-80-62(101)49(26-42-29-79-46-20-12-11-19-45(42)46)87-67(106)52(28-57(98)99)88-64(103)48(22-23-55(74)96)85-65(104)50(89-70(109)58(35(2)3)92-68(54)107)25-41-17-13-16-40-15-9-10-18-44(40)41/h9-13,15-20,29-30,34-38,47-54,58-60,79,94H,8,14,21-28,31-33H2,1-7H3,(H2,74,96)(H,77,81)(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)(H4,75,76,78)/t36-,37-,38+,47-,48-,49-,50-,51+,52+,53-,54-,58-,59-,60-/m0/s1
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159071
PNG
(Ac-I[CVWQDWGAHRC]dT | CHEMBL269247)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@H](C)O)C(O)=O
Show InChI InChI=1S/C71H99N21O19S2/c1-8-34(4)57(82-37(7)94)69(109)90-52-31-113-112-30-51(67(107)92-58(36(6)93)70(110)111)89-61(101)45(18-13-21-76-71(73)74)83-64(104)49(24-40-28-75-32-80-40)85-59(99)35(5)81-54(96)29-79-60(100)47(22-38-26-77-43-16-11-9-14-41(38)43)86-65(105)50(25-55(97)98)87-62(102)46(19-20-53(72)95)84-63(103)48(88-68(108)56(33(2)3)91-66(52)106)23-39-27-78-44-17-12-10-15-42(39)44/h9-12,14-17,26-28,32-36,45-52,56-58,77-78,93H,8,13,18-25,29-31H2,1-7H3,(H2,72,95)(H,75,80)(H,79,100)(H,81,96)(H,82,94)(H,83,104)(H,84,103)(H,85,99)(H,86,105)(H,87,102)(H,88,108)(H,89,101)(H,90,109)(H,91,106)(H,92,107)(H,97,98)(H,110,111)(H4,73,74,76)/t34-,35-,36-,45-,46-,47-,48+,49+,50+,51-,52-,56-,57-,58-/m0/s1
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159041
PNG
(Ac-I[CVYQDWGAHRC]T-NH2 | CHEMBL268084)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C69H99N21O19S2/c1-8-33(4)55(80-36(7)92)68(109)88-50-30-111-110-29-49(66(107)90-56(35(6)91)57(71)98)87-60(101)43(14-11-21-75-69(72)73)81-63(104)47(24-39-27-74-31-78-39)83-58(99)34(5)79-52(95)28-77-59(100)46(23-38-26-76-42-13-10-9-12-41(38)42)84-64(105)48(25-53(96)97)85-61(102)44(19-20-51(70)94)82-62(103)45(22-37-15-17-40(93)18-16-37)86-67(108)54(32(2)3)89-65(50)106/h9-10,12-13,15-18,26-27,31-35,43-50,54-56,76,91,93H,8,11,14,19-25,28-30H2,1-7H3,(H2,70,94)(H2,71,98)(H,74,78)(H,77,100)(H,79,95)(H,80,92)(H,81,104)(H,82,103)(H,83,99)(H,84,105)(H,85,102)(H,86,108)(H,87,101)(H,88,109)(H,89,106)(H,90,107)(H,96,97)(H4,72,73,75)/t33-,34-,35+,43-,44-,45+,46-,47+,48+,49-,50-,54-,55-,56-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50070207
PNG
(CHEMBL3408038)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C82H108N22O18S2/c1-8-42(4)68(92-44(6)106)81(122)101-62-39-124-123-38-61(79(120)103-69(43(5)105)70(84)111)100-72(113)54(24-16-28-88-82(85)86)94-76(117)59(32-49-35-87-40-91-49)97-74(115)57(29-46-19-15-18-45-17-9-10-20-50(45)46)93-65(108)36-90-71(112)56(30-47-34-89-53-23-13-11-21-51(47)53)96-77(118)60(33-66(109)110)98-73(114)55(26-27-64(83)107)95-75(116)58(99-80(121)67(41(2)3)102-78(62)119)31-48-37-104(7)63-25-14-12-22-52(48)63/h9-15,17-23,25,34-35,37,40-43,54-62,67-69,89,105H,8,16,24,26-33,36,38-39H2,1-7H3,(H2,83,107)(H2,84,111)(H,87,91)(H,90,112)(H,92,106)(H,93,108)(H,94,117)(H,95,116)(H,96,118)(H,97,115)(H,98,114)(H,99,121)(H,100,113)(H,101,122)(H,102,119)(H,103,120)(H,109,110)(H4,85,86,88)/t42-,43+,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/s2
PDB

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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C3 cleavage in human serum assessed as reduction in C5b-9 formation compound preincubated for 15 mins measured 1 hr post LPS stimulatio...


J Med Chem 58: 814-26 (2015)


Article DOI: 10.1021/jm501345y
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50070207
PNG
(CHEMBL3408038)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1/C82H108N22O18S2/c1-8-42(4)68(92-44(6)106)81(122)101-62-39-124-123-38-61(79(120)103-69(43(5)105)70(84)111)100-72(113)54(24-16-28-88-82(85)86)94-76(117)59(32-49-35-87-40-91-49)97-74(115)57(29-46-19-15-18-45-17-9-10-20-50(45)46)93-65(108)36-90-71(112)56(30-47-34-89-53-23-13-11-21-51(47)53)96-77(118)60(33-66(109)110)98-73(114)55(26-27-64(83)107)95-75(116)58(99-80(121)67(41(2)3)102-78(62)119)31-48-37-104(7)63-25-14-12-22-52(48)63/h9-15,17-23,25,34-35,37,40-43,54-62,67-69,89,105H,8,16,24,26-33,36,38-39H2,1-7H3,(H2,83,107)(H2,84,111)(H,87,91)(H,90,112)(H,92,106)(H,93,108)(H,94,117)(H,95,116)(H,96,118)(H,97,115)(H,98,114)(H,99,121)(H,100,113)(H,101,122)(H,102,119)(H,103,120)(H,109,110)(H4,85,86,88)/t42-,43+,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/s2
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C3 cleavage in human serum assessed as reduction in C3b formation compound preincubated for 15 mins measured 1 hr post LPS stimulation ...


J Med Chem 58: 814-26 (2015)


Article DOI: 10.1021/jm501345y
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159044
PNG
(Ac-I[CVTQDWGHHRC]T-NH2 | CHEMBL414283)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C67H99N23O19S2/c1-8-31(4)52(79-34(7)93)65(108)87-47-27-111-110-26-46(63(106)89-53(32(5)91)55(69)98)86-57(100)40(14-11-17-74-67(70)71)81-60(103)44(20-37-24-73-29-78-37)84-59(102)43(19-36-23-72-28-77-36)80-49(95)25-76-56(99)42(18-35-22-75-39-13-10-9-12-38(35)39)83-61(104)45(21-50(96)97)85-58(101)41(15-16-48(68)94)82-66(109)54(33(6)92)90-64(107)51(30(2)3)88-62(47)105/h9-10,12-13,22-24,28-33,40-47,51-54,75,91-92H,8,11,14-21,25-27H2,1-7H3,(H2,68,94)(H2,69,98)(H,72,77)(H,73,78)(H,76,99)(H,79,93)(H,80,95)(H,81,103)(H,82,109)(H,83,104)(H,84,102)(H,85,101)(H,86,100)(H,87,108)(H,88,105)(H,89,106)(H,90,107)(H,96,97)(H4,70,71,74)/t31-,32+,33+,40-,41-,42-,43-,44+,45+,46-,47-,51-,52-,53-,54+/m0/s1
PDB

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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159048
PNG
(Ac-I[CVFQDWGHHRC]T-NH2 | CHEMBL265872)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C72H101N23O18S2/c1-7-36(4)58(84-38(6)97)71(113)93-53-32-115-114-31-52(69(111)95-59(37(5)96)60(74)102)92-62(104)45(18-13-21-79-72(75)76)86-66(108)50(25-42-29-78-34-83-42)89-65(107)49(24-41-28-77-33-82-41)85-55(99)30-81-61(103)48(23-40-27-80-44-17-12-11-16-43(40)44)88-67(109)51(26-56(100)101)90-63(105)46(19-20-54(73)98)87-64(106)47(22-39-14-9-8-10-15-39)91-70(112)57(35(2)3)94-68(53)110/h8-12,14-17,27-29,33-37,45-53,57-59,80,96H,7,13,18-26,30-32H2,1-6H3,(H2,73,98)(H2,74,102)(H,77,82)(H,78,83)(H,81,103)(H,84,97)(H,85,99)(H,86,108)(H,87,106)(H,88,109)(H,89,107)(H,90,105)(H,91,112)(H,92,104)(H,93,113)(H,94,110)(H,95,111)(H,100,101)(H4,75,76,79)/t36-,37+,45-,46-,47+,48-,49-,50+,51+,52-,53-,57-,58-,59-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159066
PNG
(Ac-I[CVSQDWGHHRC]T-NH2 | CHEMBL415619)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C66H97N23O19S2/c1-7-31(4)52(78-33(6)92)65(108)87-47-27-110-109-26-46(63(106)89-53(32(5)91)54(68)97)86-56(99)39(13-10-16-73-66(69)70)80-59(102)43(19-36-23-72-29-77-36)83-58(101)42(18-35-22-71-28-76-35)79-49(94)24-75-55(98)41(17-34-21-74-38-12-9-8-11-37(34)38)82-60(103)44(20-50(95)96)84-57(100)40(14-15-48(67)93)81-61(104)45(25-90)85-64(107)51(30(2)3)88-62(47)105/h8-9,11-12,21-23,28-32,39-47,51-53,74,90-91H,7,10,13-20,24-27H2,1-6H3,(H2,67,93)(H2,68,97)(H,71,76)(H,72,77)(H,75,98)(H,78,92)(H,79,94)(H,80,102)(H,81,104)(H,82,103)(H,83,101)(H,84,100)(H,85,107)(H,86,99)(H,87,108)(H,88,105)(H,89,106)(H,95,96)(H4,69,70,73)/t31-,32+,39-,40-,41-,42-,43+,44+,45+,46-,47-,51-,52-,53-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159060
PNG
(Ac-I[CVWQDWGWHRC]T-NH2 | CHEMBL415601)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C79H105N23O18S2/c1-7-39(4)65(91-41(6)104)78(120)100-60-36-122-121-35-59(76(118)102-66(40(5)103)67(81)109)99-69(111)52(21-14-24-85-79(82)83)93-73(115)57(28-45-33-84-37-90-45)96-71(113)55(26-43-31-87-50-19-12-9-16-47(43)50)92-62(106)34-89-68(110)54(25-42-30-86-49-18-11-8-15-46(42)49)95-74(116)58(29-63(107)108)97-70(112)53(22-23-61(80)105)94-72(114)56(98-77(119)64(38(2)3)101-75(60)117)27-44-32-88-51-20-13-10-17-48(44)51/h8-13,15-20,30-33,37-40,52-60,64-66,86-88,103H,7,14,21-29,34-36H2,1-6H3,(H2,80,105)(H2,81,109)(H,84,90)(H,89,110)(H,91,104)(H,92,106)(H,93,115)(H,94,114)(H,95,116)(H,96,113)(H,97,112)(H,98,119)(H,99,111)(H,100,120)(H,101,117)(H,102,118)(H,107,108)(H4,82,83,85)/t39-,40+,52-,53-,54-,55-,56+,57+,58+,59-,60-,64-,65-,66-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159055
PNG
(Ac-I[CVWQDWGHHRC]T-NH2 | CHEMBL411957)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C74H102N24O18S2/c1-7-36(4)60(87-38(6)100)73(116)96-55-32-118-117-31-54(71(114)98-61(37(5)99)62(76)105)95-64(107)47(17-12-20-81-74(77)78)89-68(111)52(24-42-29-80-34-86-42)92-67(110)51(23-41-28-79-33-85-41)88-57(102)30-84-63(106)49(21-39-26-82-45-15-10-8-13-43(39)45)91-69(112)53(25-58(103)104)93-65(108)48(18-19-56(75)101)90-66(109)50(94-72(115)59(35(2)3)97-70(55)113)22-40-27-83-46-16-11-9-14-44(40)46/h8-11,13-16,26-29,33-37,47-55,59-61,82-83,99H,7,12,17-25,30-32H2,1-6H3,(H2,75,101)(H2,76,105)(H,79,85)(H,80,86)(H,84,106)(H,87,100)(H,88,102)(H,89,111)(H,90,109)(H,91,112)(H,92,110)(H,93,108)(H,94,115)(H,95,107)(H,96,116)(H,97,113)(H,98,114)(H,103,104)(H4,77,78,81)/t36-,37+,47-,48-,49-,50+,51-,52+,53+,54-,55-,59-,60-,61-/m0/s1
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PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159059
PNG
(Ac-I[CVHQDWGHHRC]T-NH2 | CHEMBL429695)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C69H99N25O18S2/c1-7-33(4)55(83-35(6)96)68(112)92-50-28-114-113-27-49(66(110)94-56(34(5)95)57(71)101)91-59(103)42(13-10-16-77-69(72)73)85-62(106)46(19-38-24-75-30-81-38)88-61(105)45(18-37-23-74-29-80-37)84-52(98)26-79-58(102)44(17-36-22-78-41-12-9-8-11-40(36)41)87-64(108)48(21-53(99)100)89-60(104)43(14-15-51(70)97)86-63(107)47(20-39-25-76-31-82-39)90-67(111)54(32(2)3)93-65(50)109/h8-9,11-12,22-25,29-34,42-50,54-56,78,95H,7,10,13-21,26-28H2,1-6H3,(H2,70,97)(H2,71,101)(H,74,80)(H,75,81)(H,76,82)(H,79,102)(H,83,96)(H,84,98)(H,85,106)(H,86,107)(H,87,108)(H,88,105)(H,89,104)(H,90,111)(H,91,103)(H,92,112)(H,93,109)(H,94,110)(H,99,100)(H4,72,73,77)/t33-,34+,42-,43-,44-,45-,46+,47+,48+,49-,50-,54-,55-,56-/m0/s1
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UniProtKB/SwissProt

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PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159067
PNG
(Ac-I[CV(Yphs)QDWGAHRC]I-NH2 | CHEMBL268083)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(OP(O)(O)=O)cc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O
Show InChI InChI=1S/C71H104N21O21PS2/c1-9-35(5)57(59(73)98)92-68(107)51-31-115-116-32-52(90-70(109)58(36(6)10-2)82-38(8)93)67(106)91-56(34(3)4)69(108)88-47(24-39-17-19-42(20-18-39)113-114(110,111)112)64(103)84-46(21-22-53(72)94)63(102)87-50(27-55(96)97)66(105)86-48(25-40-28-78-44-15-12-11-14-43(40)44)61(100)79-30-54(95)81-37(7)60(99)85-49(26-41-29-76-33-80-41)65(104)83-45(62(101)89-51)16-13-23-77-71(74)75/h11-12,14-15,17-20,28-29,33-37,45-52,56-58,78H,9-10,13,16,21-27,30-32H2,1-8H3,(H2,72,94)(H2,73,98)(H,76,80)(H,79,100)(H,81,95)(H,82,93)(H,83,104)(H,84,103)(H,85,99)(H,86,105)(H,87,102)(H,88,108)(H,89,101)(H,90,109)(H,91,106)(H,92,107)(H,96,97)(H4,74,75,77)(H2,110,111,112)/t35-,36-,37-,45-,46-,47-,48-,49+,50+,51-,52-,56-,57-,58-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159058
PNG
(Ac-I[CV(Dht)QDWGAHRC]T | CHEMBL437340)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C71H99N21O19S2/c1-8-34(4)57(82-37(7)94)69(109)90-52-31-113-112-30-51(67(107)92-58(36(6)93)70(110)111)89-61(101)45(18-13-21-76-71(73)74)83-64(104)49(24-40-28-75-32-80-40)85-59(99)35(5)81-54(96)29-79-60(100)47(22-38-26-77-43-16-11-9-14-41(38)43)86-65(105)50(25-55(97)98)87-62(102)46(19-20-53(72)95)84-63(103)48(88-68(108)56(33(2)3)91-66(52)106)23-39-27-78-44-17-12-10-15-42(39)44/h9-12,14-17,26-28,32-36,45-52,56-58,77-78,93H,8,13,18-25,29-31H2,1-7H3,(H2,72,95)(H,75,80)(H,79,100)(H,81,96)(H,82,94)(H,83,104)(H,84,103)(H,85,99)(H,86,105)(H,87,102)(H,88,108)(H,89,101)(H,90,109)(H,91,106)(H,92,107)(H,97,98)(H,110,111)(H4,73,74,76)/t34-,35-,36+,45-,46-,47-,48-,49+,50+,51-,52-,56-,57-,58-/m0/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159037
PNG
(Ac-I[CVWQDWGAHRC]T | CHEMBL413626)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C71H99N21O19S2/c1-8-34(4)57(82-37(7)94)69(109)90-52-31-113-112-30-51(67(107)92-58(36(6)93)70(110)111)89-61(101)45(18-13-21-76-71(73)74)83-64(104)49(24-40-28-75-32-80-40)85-59(99)35(5)81-54(96)29-79-60(100)47(22-38-26-77-43-16-11-9-14-41(38)43)86-65(105)50(25-55(97)98)87-62(102)46(19-20-53(72)95)84-63(103)48(88-68(108)56(33(2)3)91-66(52)106)23-39-27-78-44-17-12-10-15-42(39)44/h9-12,14-17,26-28,32-36,45-52,56-58,77-78,93H,8,13,18-25,29-31H2,1-7H3,(H2,72,95)(H,75,80)(H,79,100)(H,81,96)(H,82,94)(H,83,104)(H,84,103)(H,85,99)(H,86,105)(H,87,102)(H,88,108)(H,89,101)(H,90,109)(H,91,106)(H,92,107)(H,97,98)(H,110,111)(H4,73,74,76)/t34-,35-,36+,45-,46-,47-,48+,49+,50+,51-,52-,56-,57-,58-/m0/s1
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UniProtKB/SwissProt

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n/an/a 1.20E+4n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159064
PNG
(Ac-I[CVVQDWGAHRC]T-NH2 | CHEMBL269043)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C65H99N21O18S2/c1-10-31(6)51(76-34(9)88)64(104)83-45-27-106-105-26-44(61(101)86-52(33(8)87)53(67)93)82-56(96)39(16-13-19-71-65(68)69)77-58(98)42(21-36-24-70-28-74-36)79-54(94)32(7)75-47(90)25-73-55(95)41(20-35-23-72-38-15-12-11-14-37(35)38)80-59(99)43(22-48(91)92)81-57(97)40(17-18-46(66)89)78-62(102)49(29(2)3)85-63(103)50(30(4)5)84-60(45)100/h11-12,14-15,23-24,28-33,39-45,49-52,72,87H,10,13,16-22,25-27H2,1-9H3,(H2,66,89)(H2,67,93)(H,70,74)(H,73,95)(H,75,90)(H,76,88)(H,77,98)(H,78,102)(H,79,94)(H,80,99)(H,81,97)(H,82,96)(H,83,104)(H,84,100)(H,85,103)(H,86,101)(H,91,92)(H4,68,69,71)/t31-,32-,33+,39-,40-,41-,42+,43+,44-,45-,49+,50-,51-,52-/m0/s1
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UniProtKB/SwissProt

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n/an/a 1.30E+4n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159061
PNG
(Ac-dI[CVWQDWGAHRC]T | CHEMBL412730)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C70H97N21O19S2/c1-8-33(4)56(81-36(7)93)68(108)89-51-30-112-111-29-50(66(106)91-57(35(6)92)69(109)110)88-61(101)45(19-20-75-70(72)73)83-63(103)48(23-39-27-74-31-79-39)84-58(98)34(5)80-53(95)28-78-59(99)46(21-37-25-76-42-15-11-9-13-40(37)42)85-64(104)49(24-54(96)97)86-60(100)44(17-18-52(71)94)82-62(102)47(87-67(107)55(32(2)3)90-65(51)105)22-38-26-77-43-16-12-10-14-41(38)43/h9-16,25-27,31-35,44-51,55-57,76-77,92H,8,17-24,28-30H2,1-7H3,(H2,71,94)(H,74,79)(H,78,99)(H,80,95)(H,81,93)(H,82,102)(H,83,103)(H,84,98)(H,85,104)(H,86,100)(H,87,107)(H,88,101)(H,89,108)(H,90,105)(H,91,106)(H,96,97)(H,109,110)(H4,72,73,75)/t33-,34-,35+,44-,45-,46-,47+,48+,49+,50-,51-,55-,56-,57+/m0/s1
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n/an/a 2.31E+4n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159040
PNG
(Ac-I[CVVQDWGHHRC]T-NH2 | CHEMBL409335)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C68H101N23O18S2/c1-9-33(6)54(80-35(8)93)67(109)88-48-28-111-110-27-47(64(106)91-55(34(7)92)56(70)98)87-58(100)41(15-12-18-75-68(71)72)82-61(103)45(21-38-25-74-30-79-38)85-60(102)44(20-37-24-73-29-78-37)81-50(95)26-77-57(99)43(19-36-23-76-40-14-11-10-13-39(36)40)84-62(104)46(22-51(96)97)86-59(101)42(16-17-49(69)94)83-65(107)52(31(2)3)90-66(108)53(32(4)5)89-63(48)105/h10-11,13-14,23-25,29-34,41-48,52-55,76,92H,9,12,15-22,26-28H2,1-8H3,(H2,69,94)(H2,70,98)(H,73,78)(H,74,79)(H,77,99)(H,80,93)(H,81,95)(H,82,103)(H,83,107)(H,84,104)(H,85,102)(H,86,101)(H,87,100)(H,88,109)(H,89,105)(H,90,108)(H,91,106)(H,96,97)(H4,71,72,75)/t33-,34+,41-,42-,43-,44-,45+,46+,47-,48-,52+,53-,54-,55-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159052
PNG
(Ac-I[CV(Cha) QDWGAHRC]T | CHEMBL438586)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)N(C2CCCCC2)C(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C69H104N20O19S2/c1-9-34(4)55(79-38(8)91)66(105)86-50-31-110-109-30-49(65(104)88-56(37(7)90)68(107)108)85-60(99)44(20-15-23-74-69(71)72)81-62(101)47(25-40-28-73-32-77-40)82-57(96)35(5)78-52(93)29-76-59(98)46(24-39-27-75-43-19-14-13-18-42(39)43)83-63(102)48(26-53(94)95)84-61(100)45(21-22-51(70)92)80-58(97)36(6)89(41-16-11-10-12-17-41)67(106)54(33(2)3)87-64(50)103/h13-14,18-19,27-28,32-37,41,44-50,54-56,75,90H,9-12,15-17,20-26,29-31H2,1-8H3,(H2,70,92)(H,73,77)(H,76,98)(H,78,93)(H,79,91)(H,80,97)(H,81,101)(H,82,96)(H,83,102)(H,84,100)(H,85,99)(H,86,105)(H,87,103)(H,88,104)(H,94,95)(H,107,108)(H4,71,72,74)/t34-,35-,36+,37+,44-,45-,46-,47+,48+,49-,50-,54-,55-,56-/m0/s1
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n/an/a 4.78E+4n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159056
PNG
(CHEMBL265136 | I[CVVQDWGHHRC]T-NH2)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C66H99N23O17S2/c1-8-32(6)50(68)63(104)86-46-27-108-107-26-45(62(103)89-53(33(7)90)54(69)95)85-56(97)39(14-11-17-74-66(70)71)80-59(100)43(20-36-24-73-29-78-36)83-58(99)42(19-35-23-72-28-77-35)79-48(92)25-76-55(96)41(18-34-22-75-38-13-10-9-12-37(34)38)82-60(101)44(21-49(93)94)84-57(98)40(15-16-47(67)91)81-64(105)51(30(2)3)88-65(106)52(31(4)5)87-61(46)102/h9-10,12-13,22-24,28-33,39-46,50-53,75,90H,8,11,14-21,25-27,68H2,1-7H3,(H2,67,91)(H2,69,95)(H,72,77)(H,73,78)(H,76,96)(H,79,92)(H,80,100)(H,81,105)(H,82,101)(H,83,99)(H,84,98)(H,85,97)(H,86,104)(H,87,102)(H,88,106)(H,89,103)(H,93,94)(H4,70,71,74)/t32-,33+,39-,40-,41-,42-,43+,44+,45-,46-,50-,51+,52-,53-/m0/s1
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n/an/a 5.36E+4n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159051
PNG
(Ac-I[CVWQDWGAHRC]T-NH2 | CHEMBL411152)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C69H98N22O17S2/c1-7-33(4)54(71)67(107)89-50-30-110-109-29-49(66(106)91-56(35(6)92)57(72)97)88-60(100)43(17-12-20-76-69(73)74)82-63(103)47(23-38-27-75-31-80-38)84-58(98)34(5)81-52(94)28-79-59(99)45(21-36-25-77-41-15-10-8-13-39(36)41)85-64(104)48(24-53(95)96)86-61(101)44(18-19-51(70)93)83-62(102)46(87-68(108)55(32(2)3)90-65(50)105)22-37-26-78-42-16-11-9-14-40(37)42/h8-11,13-16,25-27,31-35,43-50,54-56,77-78,92H,7,12,17-24,28-30,71H2,1-6H3,(H2,70,93)(H2,72,97)(H,75,80)(H,79,99)(H,81,94)(H,82,103)(H,83,102)(H,84,98)(H,85,104)(H,86,101)(H,87,108)(H,88,100)(H,89,107)(H,90,105)(H,91,106)(H,95,96)(H4,73,74,76)/t33-,34-,35+,43-,44-,45-,46+,47+,48+,49-,50-,54-,55-,56-/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159039
PNG
(Ac-I[CVWQDWGdAHRC]T | CHEMBL409250)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C71H99N21O19S2/c1-8-34(4)57(82-37(7)94)69(109)90-52-31-113-112-30-51(67(107)92-58(36(6)93)70(110)111)89-61(101)45(18-13-21-76-71(73)74)83-64(104)49(24-40-28-75-32-80-40)85-59(99)35(5)81-54(96)29-79-60(100)47(22-38-26-77-43-16-11-9-14-41(38)43)86-65(105)50(25-55(97)98)87-62(102)46(19-20-53(72)95)84-63(103)48(88-68(108)56(33(2)3)91-66(52)106)23-39-27-78-44-17-12-10-15-42(39)44/h9-12,14-17,26-28,32-36,45-52,56-58,77-78,93H,8,13,18-25,29-31H2,1-7H3,(H2,72,95)(H,75,80)(H,79,100)(H,81,96)(H,82,94)(H,83,104)(H,84,103)(H,85,99)(H,86,105)(H,87,102)(H,88,108)(H,89,101)(H,90,109)(H,91,106)(H,92,107)(H,97,98)(H,110,111)(H4,73,74,76)/t34-,35+,36+,45-,46-,47-,48+,49+,50+,51-,52-,56-,57-,58+/m0/s1
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n/an/a 1.32E+5n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159038
PNG
(Ac-I[CVWQDWGAdHRC]T | CHEMBL264596)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C71H99N21O19S2/c1-8-34(4)57(82-37(7)94)69(109)90-52-31-113-112-30-51(67(107)92-58(36(6)93)70(110)111)89-61(101)45(18-13-21-76-71(73)74)83-64(104)49(24-40-28-75-32-80-40)85-59(99)35(5)81-54(96)29-79-60(100)47(22-38-26-77-43-16-11-9-14-41(38)43)86-65(105)50(25-55(97)98)87-62(102)46(19-20-53(72)95)84-63(103)48(88-68(108)56(33(2)3)91-66(52)106)23-39-27-78-44-17-12-10-15-42(39)44/h9-12,14-17,26-28,32-36,45-52,56-58,77-78,93H,8,13,18-25,29-31H2,1-7H3,(H2,72,95)(H,75,80)(H,79,100)(H,81,96)(H,82,94)(H,83,104)(H,84,103)(H,85,99)(H,86,105)(H,87,102)(H,88,108)(H,89,101)(H,90,109)(H,91,106)(H,92,107)(H,97,98)(H,110,111)(H4,73,74,76)/t34-,35-,36+,45-,46-,47-,48+,49-,50+,51-,52-,56-,57-,58+/m0/s1
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n/an/a 1.36E+5n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159070
PNG
(Ac-I[CVVdQDWGHHRC]-NH2 | CHEMBL413870)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C64H94N22O16S2/c1-8-32(6)52(76-33(7)87)63(102)84-46-27-104-103-26-45(53(66)92)83-55(94)39(14-11-17-71-64(67)68)78-58(97)43(20-36-24-70-29-75-36)81-57(96)42(19-35-23-69-28-74-35)77-48(89)25-73-54(93)41(18-34-22-72-38-13-10-9-12-37(34)38)80-59(98)44(21-49(90)91)82-56(95)40(15-16-47(65)88)79-61(100)50(30(2)3)86-62(101)51(31(4)5)85-60(46)99/h9-10,12-13,22-24,28-32,39-46,50-52,72H,8,11,14-21,25-27H2,1-7H3,(H2,65,88)(H2,66,92)(H,69,74)(H,70,75)(H,73,93)(H,76,87)(H,77,89)(H,78,97)(H,79,100)(H,80,98)(H,81,96)(H,82,95)(H,83,94)(H,84,102)(H,85,99)(H,86,101)(H,90,91)(H4,67,68,71)/t32-,39-,40+,41-,42-,43+,44+,45-,46-,50+,51-,52-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159065
PNG
(Ac-I[CVdWQDWGAHRC]I-NH2 | CHEMBL411923)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O
Show InChI InChI=1S/C73H104N22O17S2/c1-9-36(5)59(61(75)101)95-70(110)53-32-113-114-33-54(93-72(112)60(37(6)10-2)85-39(8)96)69(109)94-58(35(3)4)71(111)91-50(25-41-29-81-46-19-14-12-17-44(41)46)66(106)87-48(21-22-55(74)97)65(105)90-52(27-57(99)100)68(108)89-49(24-40-28-80-45-18-13-11-16-43(40)45)63(103)82-31-56(98)84-38(7)62(102)88-51(26-42-30-78-34-83-42)67(107)86-47(64(104)92-53)20-15-23-79-73(76)77/h11-14,16-19,28-30,34-38,47-54,58-60,80-81H,9-10,15,20-27,31-33H2,1-8H3,(H2,74,97)(H2,75,101)(H,78,83)(H,82,103)(H,84,98)(H,85,96)(H,86,107)(H,87,106)(H,88,102)(H,89,108)(H,90,105)(H,91,111)(H,92,104)(H,93,112)(H,94,109)(H,95,110)(H,99,100)(H4,76,77,79)/t36-,37-,38-,47-,48-,49-,50-,51+,52+,53-,54-,58-,59+,60-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159045
PNG
(Ac-I[CVdYQDWGAHRC]I-NH2 | CHEMBL439442)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O
Show InChI InChI=1S/C71H103N21O18S2/c1-9-35(5)57(59(73)99)92-68(108)51-31-111-112-32-52(90-70(110)58(36(6)10-2)82-38(8)93)67(107)91-56(34(3)4)69(109)88-47(24-39-17-19-42(94)20-18-39)64(104)84-46(21-22-53(72)95)63(103)87-50(27-55(97)98)66(106)86-48(25-40-28-78-44-15-12-11-14-43(40)44)61(101)79-30-54(96)81-37(7)60(100)85-49(26-41-29-76-33-80-41)65(105)83-45(62(102)89-51)16-13-23-77-71(74)75/h11-12,14-15,17-20,28-29,33-37,45-52,56-58,78,94H,9-10,13,16,21-27,30-32H2,1-8H3,(H2,72,95)(H2,73,99)(H,76,80)(H,79,101)(H,81,96)(H,82,93)(H,83,105)(H,84,104)(H,85,100)(H,86,106)(H,87,103)(H,88,109)(H,89,102)(H,90,110)(H,91,107)(H,92,108)(H,97,98)(H4,74,75,77)/t35-,36-,37-,45-,46-,47-,48-,49+,50+,51-,52-,56-,57+,58-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159036
PNG
(Ac-I[CVWQDWGAHdRC]T | CHEMBL410971)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C69H98N22O17S2/c1-7-33(4)54(71)67(107)89-50-30-110-109-29-49(66(106)91-56(35(6)92)57(72)97)88-60(100)43(17-12-20-76-69(73)74)82-63(103)47(23-38-27-75-31-80-38)84-58(98)34(5)81-52(94)28-79-59(99)45(21-36-25-77-41-15-10-8-13-39(36)41)85-64(104)48(24-53(95)96)86-61(101)44(18-19-51(70)93)83-62(102)46(87-68(108)55(32(2)3)90-65(50)105)22-37-26-78-42-16-11-9-14-40(37)42/h8-11,13-16,25-27,31-35,43-50,54-56,77-78,92H,7,12,17-24,28-30,71H2,1-6H3,(H2,70,93)(H2,72,97)(H,75,80)(H,79,99)(H,81,94)(H,82,103)(H,83,102)(H,84,98)(H,85,104)(H,86,101)(H,87,108)(H,88,100)(H,89,107)(H,90,105)(H,91,106)(H,95,96)(H4,73,74,76)/t33-,34-,35+,43+,44-,45-,46+,47+,48+,49-,50-,54-,55-,56-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50370556
PNG
(CHEMBL558435)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](NC1=O)C(C)C)C(=O)N[C@H]([C@@H](C)O)C(N)=O |r,wU:106.111,51.52,4.4,73.76,21.21,42.43,wD:17.108,12.11,65.68,82.85,32.32,96.105,107.114,2.2,(12.88,-32.96,;14.24,-32.24,;14.31,-30.72,;13,-29.88,;15.67,-29.99,;16.97,-30.83,;18.35,-30.13,;18.42,-28.57,;19.65,-30.94,;15.75,-28.44,;17.12,-27.75,;14.44,-27.64,;14.51,-26.1,;16.08,-26.02,;17.54,-25.67,;18.98,-25.07,;20.26,-24.24,;21.36,-23.16,;22.28,-21.91,;22.94,-20.53,;24.37,-21.07,;23.34,-19.05,;24.86,-19.31,;25.4,-20.77,;26.9,-21.04,;27.42,-22.5,;28.92,-22.76,;30.11,-21.8,;29.14,-24.27,;23.49,-17.51,;23.34,-15.98,;24.86,-15.71,;22.94,-14.5,;24.37,-13.95,;25.84,-14.35,;26.87,-13.21,;28.26,-13.81,;28.11,-15.38,;26.61,-15.67,;22.28,-13.1,;21.36,-11.85,;22.54,-10.86,;20.26,-10.8,;21.21,-9.59,;18.98,-9.95,;17.54,-9.33,;18.02,-7.87,;16.08,-8.99,;14.51,-8.92,;12.99,-9.14,;12.66,-7.63,;11.52,-9.62,;10.91,-8.2,;11.3,-6.73,;10.07,-5.81,;10.58,-4.34,;12.11,-4.38,;13.18,-3.24,;14.66,-3.57,;15.12,-5.04,;14.07,-6.18,;12.55,-5.81,;10.18,-10.35,;8.96,-11.3,;7.9,-10.2,;7.96,-12.45,;6.72,-11.56,;6.31,-10.06,;4.81,-9.67,;7.36,-8.97,;7.17,-13.8,;6.62,-15.23,;5.14,-14.83,;6.35,-16.74,;4.82,-16.6,;4.18,-15.21,;2.64,-15.06,;1.98,-13.67,;1.76,-16.33,;6.35,-18.28,;6.62,-19.78,;5.14,-20.2,;7.17,-21.23,;5.77,-21.91,;5.37,-23.38,;6.2,-24.68,;5.21,-25.87,;3.79,-25.3,;2.39,-25.99,;1.1,-25.12,;1.22,-23.6,;2.61,-22.9,;3.89,-23.78,;7.96,-22.55,;8.96,-23.72,;7.9,-24.85,;10.18,-24.66,;11.52,-25.4,;12.99,-25.89,;12.66,-27.38,;9.32,-25.96,;10.02,-27.34,;7.78,-25.87,;22.54,-24.19,;24.08,-24.19,;23.28,-25.51,;22.76,-26.94,;21.21,-27.2,;20.26,-26.02,;20.7,-28.64,;23.72,-28.13,;23.2,-29.58,;25.25,-27.87,)|
Show InChI InChI=1S/C71H100N22O18S2/c1-8-34(4)57(83-37(7)95)70(111)91-52-31-113-112-30-51(68(109)93-58(36(6)94)59(73)100)90-62(103)45(18-13-21-77-71(74)75)84-65(106)49(24-40-28-76-32-81-40)86-60(101)35(5)82-54(97)29-80-61(102)47(22-38-26-78-43-16-11-9-14-41(38)43)87-66(107)50(25-55(98)99)88-63(104)46(19-20-53(72)96)85-64(105)48(89-69(110)56(33(2)3)92-67(52)108)23-39-27-79-44-17-12-10-15-42(39)44/h9-12,14-17,26-28,32-36,45-52,56-58,78-79,94H,8,13,18-25,29-31H2,1-7H3,(H2,72,96)(H2,73,100)(H,76,81)(H,80,102)(H,82,97)(H,83,95)(H,84,106)(H,85,105)(H,86,101)(H,87,107)(H,88,104)(H,89,110)(H,90,103)(H,91,111)(H,92,108)(H,93,109)(H,98,99)(H4,74,75,77)/t34-,35-,36+,45-,46-,47-,48+,49+,50+,51-,52-,56+,57-,58+/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159042
PNG
(Ac-I[CVVQdDWGHHRC]-NH2 | CHEMBL273856)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C68H99N23O19S2/c1-8-33(6)55(80-34(7)92)67(110)89-48-28-112-111-27-47(56(70)99)88-58(101)40(14-11-17-75-68(71)72)82-61(104)44(20-37-25-74-30-79-37)85-60(103)43(19-36-24-73-29-78-36)81-50(94)26-77-57(100)42(18-35-23-76-39-13-10-9-12-38(35)39)84-62(105)46(22-52(97)98)87-63(106)45(21-51(95)96)86-59(102)41(15-16-49(69)93)83-65(108)53(31(2)3)91-66(109)54(32(4)5)90-64(48)107/h9-10,12-13,23-25,29-33,40-48,53-55,76H,8,11,14-22,26-28H2,1-7H3,(H2,69,93)(H2,70,99)(H,73,78)(H,74,79)(H,77,100)(H,80,92)(H,81,94)(H,82,104)(H,83,108)(H,84,105)(H,85,103)(H,86,102)(H,87,106)(H,88,101)(H,89,110)(H,90,107)(H,91,109)(H,95,96)(H,97,98)(H4,71,72,75)/t33-,40+,41-,42+,43+,44-,45-,46-,47+,48-,53+,54-,55-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair
Complement C3


(Homo sapiens (Human))
BDBM50159053
PNG
(Ac-I[CVVQDdWGHHRC]-NH2 | CHEMBL263238)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C64H94N22O16S2/c1-8-32(6)52(76-33(7)87)63(102)84-46-27-104-103-26-45(53(66)92)83-55(94)39(14-11-17-71-64(67)68)78-58(97)43(20-36-24-70-29-75-36)81-57(96)42(19-35-23-69-28-74-35)77-48(89)25-73-54(93)41(18-34-22-72-38-13-10-9-12-37(34)38)80-59(98)44(21-49(90)91)82-56(95)40(15-16-47(65)88)79-61(100)50(30(2)3)86-62(101)51(31(4)5)85-60(46)99/h9-10,12-13,22-24,28-32,39-46,50-52,72H,8,11,14-21,25-27H2,1-7H3,(H2,65,88)(H2,66,92)(H,69,74)(H,70,75)(H,73,93)(H,76,87)(H,77,89)(H,78,97)(H,79,100)(H,80,98)(H,81,96)(H,82,95)(H,83,94)(H,84,102)(H,85,99)(H,86,101)(H,90,91)(H4,67,68,71)/t32-,39-,40-,41+,42-,43+,44+,45-,46-,50+,51-,52-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation


J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
More data for this
Ligand-Target Pair