Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50037491 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Complement C3
(Homo sapiens (Human)) | BDBM50159043
(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
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159050
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159068
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159049
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159063
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159069
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159057
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159054
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159047
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159046
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159071
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159041
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159048
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159044
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159066
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159060
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159055
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159059
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159067
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159058
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159037
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159064
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159061
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.31E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159040
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159052
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.78E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159056
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.36E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159051
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159039
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.32E+5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159038
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.36E+5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159045
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159065
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159070
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159036
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50370556
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159042
(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
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
Complement C3
(Homo sapiens (Human)) | BDBM50159053
(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
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2DR2W81 |
More data for this
Ligand-Target Pair | |
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