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Compile Data Set for Download or QSAR

Found 19 hits of ec50 data for polymerid = 124   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-8


(Homo sapiens (human))
BDBM10323
PNG
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1
Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273339
PNG
((S)-1-(4-Fluorobenzyl)-5-(2-((1-(2-fluoroethyl)-1H...)
Show SMILES FCCn1cc(COC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(Cc4ccc(F)cc4)C(=O)C(=O)c3c2)nn1
Show InChI InChI=1S/C25H25F2N5O5S/c26-9-11-30-14-19(28-29-30)15-37-16-20-2-1-10-32(20)38(35,36)21-7-8-23-22(12-21)24(33)25(34)31(23)13-17-3-5-18(27)6-4-17/h3-8,12,14,20H,1-2,9-11,13,15-16H2/t20-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50200305
PNG
((S)-1-(4-iodobenzyl)-5-(2-phenoxymethyl-pyrrolidin...)
Show SMILES Ic1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
Show InChI InChI=1S/C26H23IN2O5S/c27-19-10-8-18(9-11-19)16-28-24-13-12-22(15-23(24)25(30)26(28)31)35(32,33)29-14-4-5-20(29)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,20H,4-5,14,16-17H2/t20-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM10331
PNG
((S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-pyrrolid...)
Show SMILES Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1
Show InChI InChI=1S/C26H23FN2O5S/c27-19-10-8-18(9-11-19)16-28-24-13-12-22(15-23(24)25(30)26(28)31)35(32,33)29-14-4-5-20(29)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,20H,4-5,14,16-17H2/t20-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273926
PNG
(1-(4-Fluorobenzyl)-5-(pyrrolidine-1-sulfonyl)isati...)
Show SMILES Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCCC2)cc1
Show InChI InChI=1S/C19H17FN2O4S/c20-14-5-3-13(4-6-14)12-22-17-8-7-15(11-16(17)18(23)19(22)24)27(25,26)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273927
PNG
((S)-1-(4-Fluorobenzyl)-5-(2-(4-fluorophenoxymethyl...)
Show SMILES Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H22F2N2O5S/c27-18-5-3-17(4-6-18)15-29-24-12-11-22(14-23(24)25(31)26(29)32)36(33,34)30-13-1-2-20(30)16-35-21-9-7-19(28)8-10-21/h3-12,14,20H,1-2,13,15-16H2/t20-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273338
PNG
((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)nn1
Show InChI InChI=1S/C24H22F3N5O5S/c25-7-9-30-12-16(28-29-30)13-31-21-5-4-18(11-19(21)23(33)24(31)34)38(35,36)32-8-1-2-17(32)14-37-22-6-3-15(26)10-20(22)27/h3-6,10-12,17H,1-2,7-9,13-14H2/t17-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273337
PNG
((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)nn1
Show InChI InChI=1S/C24H24FN5O5S/c25-10-12-28-14-17(26-27-28)15-29-22-9-8-20(13-21(22)23(31)24(29)32)36(33,34)30-11-4-5-18(30)16-35-19-6-2-1-3-7-19/h1-3,6-9,13-14,18H,4-5,10-12,15-16H2/t18-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273992
PNG
((S)-1-(2-Propynyl)-5-(2-(2,4-difluorophenoxymethyl...)
Show SMILES Fc1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(CC#C)C(=O)C(=O)c3c2)c(F)c1
Show InChI InChI=1S/C22H18F2N2O5S/c1-2-9-25-19-7-6-16(12-17(19)21(27)22(25)28)32(29,30)26-10-3-4-15(26)13-31-20-8-5-14(23)11-18(20)24/h1,5-8,11-12,15H,3-4,9-10,13H2/t15-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273991
PNG
((S)-1-(4-Fluorobenzyl)-5-(2-(pyrimidin-4-yloxymeth...)
Show SMILES Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccncn2)cc1
Show InChI InChI=1S/C24H21FN4O5S/c25-17-5-3-16(4-6-17)13-28-21-8-7-19(12-20(21)23(30)24(28)31)35(32,33)29-11-1-2-18(29)14-34-22-9-10-26-15-27-22/h3-10,12,15,18H,1-2,11,13-14H2/t18-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273990
PNG
((S)-1-(4-Fluorobenzyl)-5-(2-(tetrahydro-2H-pyran-4...)
Show SMILES Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC2CCOCC2)cc1
Show InChI InChI=1S/C25H27FN2O6S/c26-18-5-3-17(4-6-18)15-27-23-8-7-21(14-22(23)24(29)25(27)30)35(31,32)28-11-1-2-19(28)16-34-20-9-12-33-13-10-20/h3-8,14,19-20H,1-2,9-13,15-16H2/t19-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273989
PNG
((S)-1-(4-Fluorobenzyl)-5-(2-(3,5-difluorophenoxyme...)
Show SMILES Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C26H21F3N2O5S/c27-17-5-3-16(4-6-17)14-30-24-8-7-22(13-23(24)25(32)26(30)33)37(34,35)31-9-1-2-20(31)15-36-21-11-18(28)10-19(29)12-21/h3-8,10-13,20H,1-2,9,14-15H2/t20-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273929
PNG
((S)-1-(4-Fluorobenzyl)-5-(2-(2,4-difluorophenoxyme...)
Show SMILES Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C26H21F3N2O5S/c27-17-5-3-16(4-6-17)14-30-23-9-8-20(13-21(23)25(32)26(30)33)37(34,35)31-11-1-2-19(31)15-36-24-10-7-18(28)12-22(24)29/h3-10,12-13,19H,1-2,11,14-15H2/t19-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50273928
PNG
((S)-1-(4-Fluorobenzyl)-5-(2-(3-fluorophenoxymethyl...)
Show SMILES Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H22F2N2O5S/c27-18-8-6-17(7-9-18)15-29-24-11-10-22(14-23(24)25(31)26(29)32)36(33,34)30-12-2-4-20(30)16-35-21-5-1-3-19(28)13-21/h1,3,5-11,13-14,20H,2,4,12,15-16H2/t20-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50022802
PNG
(CHEMBL429546 | Cys-Gly-Arg-Val-Tyr-Arg-Pro-Cys-Trp...)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N1)C(O)=O
Show InChI InChI=1S/C60H88N18O15S2/c1-30(2)47-56(90)74-41(24-32-15-17-34(79)18-16-32)52(86)72-40(13-8-22-67-60(64)65)57(91)78-23-9-14-44(78)55(89)75-43(29-95-94-28-36(61)49(83)69-27-45(80)70-38(50(84)76-47)12-7-21-66-59(62)63)54(88)73-42(25-33-26-68-37-11-6-5-10-35(33)37)53(87)71-39(19-20-46(81)82)51(85)77-48(31(3)4)58(92)93/h5-6,10-11,15-18,26,30-31,36,38-44,47-48,68,79H,7-9,12-14,19-25,27-29,61H2,1-4H3,(H,69,83)(H,70,80)(H,71,87)(H,72,86)(H,73,88)(H,74,90)(H,75,89)(H,76,84)(H,77,85)(H,81,82)(H,92,93)(H4,62,63,66)(H4,64,65,67)/t36-,38+,39-,40-,41+,42-,43+,44+,47-,48-/m1/s1
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n/an/an/an/a 4.00E+6n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Melanosome dispersion (skin darkening) within melanocytes (Alpha-MSH-like activity), measured on tetrapod skin


J Med Chem 31: 949-54 (1988)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50022801
PNG
(Asp-Thr-Met-Arg-Ala-Met-Cys-Gly-Arg-Val-Tyr-Arg-Pr...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C87H135N27O24S4/c1-42(2)66-81(134)108-58(35-46-21-23-48(116)24-22-46)77(130)106-57(19-13-31-97-87(93)94)83(136)114-32-14-20-62(114)80(133)110-61(79(132)107-59(36-47-38-98-51-16-10-9-15-49(47)51)78(131)104-54(25-26-64(118)119)76(129)112-67(43(3)4)84(137)138)41-142-141-40-60(71(124)99-39-63(117)101-52(75(128)111-66)17-11-29-95-85(89)90)109-74(127)55(27-33-139-7)102-69(122)44(5)100-72(125)53(18-12-30-96-86(91)92)103-73(126)56(28-34-140-8)105-82(135)68(45(6)115)113-70(123)50(88)37-65(120)121/h9-10,15-16,21-24,38,42-45,50,52-62,66-68,98,115-116H,11-14,17-20,25-37,39-41,88H2,1-8H3,(H,99,124)(H,100,125)(H,101,117)(H,102,122)(H,103,126)(H,104,131)(H,105,135)(H,106,130)(H,107,132)(H,108,134)(H,109,127)(H,110,133)(H,111,128)(H,112,129)(H,113,123)(H,118,119)(H,120,121)(H,137,138)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45+,50-,52-,53-,54-,55-,56-,57-,58-,59-,60+,61-,62-,66-,67-,68-/m0/s1
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PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 2.50E+7n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Melanosome dispersion (skin darkening) within melanocytes (Alpha-MSH-like activity), measured on tetrapod skin


J Med Chem 31: 949-54 (1988)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50022799
PNG
(Ala-Met-Val-Gly-Arg-Cys-Tyr-Arg-Pro-Cys-Trp-Glu-Va...)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C68H102N20O17S3/c1-34(2)53(86-58(96)44(23-27-106-6)79-55(93)36(5)69)64(102)77-31-51(90)78-42(14-9-24-74-67(70)71)56(94)84-48-32-107-108-33-49(62(100)83-47(29-38-30-76-41-13-8-7-12-40(38)41)60(98)80-43(21-22-52(91)92)57(95)87-54(35(3)4)66(104)105)85-63(101)50-16-11-26-88(50)65(103)45(15-10-25-75-68(72)73)81-59(97)46(82-61(48)99)28-37-17-19-39(89)20-18-37/h7-8,12-13,17-20,30,34-36,42-50,53-54,76,89H,9-11,14-16,21-29,31-33,69H2,1-6H3,(H,77,102)(H,78,90)(H,79,93)(H,80,98)(H,81,97)(H,82,99)(H,83,100)(H,84,94)(H,85,101)(H,86,96)(H,87,95)(H,91,92)(H,104,105)(H4,70,71,74)(H4,72,73,75)/t36-,42-,43+,44-,45+,46-,47+,48-,49-,50-,53-,54+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 2.50E+7n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Melanosome dispersion (skin darkening) within melanocytes (Alpha-MSH-like activity), measured on tetrapod skin


J Med Chem 31: 949-54 (1988)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50022803
PNG
(Asp-Thr-Met-Arg-Ala-Met-Val-Cys-Arg-Val-Tyr-Arg-Pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C90H141N27O24S4/c1-43(2)67-83(136)110-60(37-48-23-25-50(119)26-24-48)78(131)108-59(21-15-33-100-90(96)97)86(139)117-34-16-22-64(117)82(135)111-62(81(134)109-61(38-49-40-101-53-18-12-11-17-51(49)53)79(132)106-56(27-28-65(120)121)76(129)115-69(45(5)6)87(140)141)41-144-145-42-63(80(133)105-55(75(128)113-67)20-14-32-99-89(94)95)112-84(137)68(44(3)4)114-77(130)58(30-36-143-10)103-71(124)46(7)102-73(126)54(19-13-31-98-88(92)93)104-74(127)57(29-35-142-9)107-85(138)70(47(8)118)116-72(125)52(91)39-66(122)123/h11-12,17-18,23-26,40,43-47,52,54-64,67-70,101,118-119H,13-16,19-22,27-39,41-42,91H2,1-10H3,(H,102,126)(H,103,124)(H,104,127)(H,105,133)(H,106,132)(H,107,138)(H,108,131)(H,109,134)(H,110,136)(H,111,135)(H,112,137)(H,113,128)(H,114,130)(H,115,129)(H,116,125)(H,120,121)(H,122,123)(H,140,141)(H4,92,93,98)(H4,94,95,99)(H4,96,97,100)/t46-,47+,52-,54-,55-,56+,57-,58-,59+,60-,61+,62-,63-,64-,67+,68-,69+,70-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 4.00E+7n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Melanosome dispersion (skin darkening) within melanocytes (Alpha-MSH-like activity), measured on tetrapod skin


J Med Chem 31: 949-54 (1988)

More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50022800
PNG
(Asp-Thr-Met-Arg-Ala-Met-Val-Gly-Arg-Cys-Tyr-Arg-Pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C87H135N27O24S4/c1-42(2)66(111-75(128)56(28-34-140-8)102-69(122)44(5)100-71(124)53(18-12-30-96-86(91)92)103-73(126)55(27-33-139-7)105-82(135)68(45(6)115)113-70(123)50(88)37-65(120)121)81(134)99-39-63(117)101-52(17-11-29-95-85(89)90)72(125)109-60-40-141-142-41-61(79(132)108-59(36-47-38-98-51-16-10-9-15-49(47)51)77(130)104-54(25-26-64(118)119)74(127)112-67(43(3)4)84(137)138)110-80(133)62-20-14-32-114(62)83(136)57(19-13-31-97-87(93)94)106-76(129)58(107-78(60)131)35-46-21-23-48(116)24-22-46/h9-10,15-16,21-24,38,42-45,50,52-62,66-68,98,115-116H,11-14,17-20,25-37,39-41,88H2,1-8H3,(H,99,134)(H,100,124)(H,101,117)(H,102,122)(H,103,126)(H,104,130)(H,105,135)(H,106,129)(H,107,131)(H,108,132)(H,109,125)(H,110,133)(H,111,128)(H,112,127)(H,113,123)(H,118,119)(H,120,121)(H,137,138)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45+,50-,52-,53-,54+,55-,56-,57+,58-,59+,60-,61-,62-,66-,67+,68-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 1.00E+9n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Melanosome dispersion (skin darkening) within melanocytes (Alpha-MSH-like activity), measured on tetrapod skin


J Med Chem 31: 949-54 (1988)

More data for this
Ligand-Target Pair