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28 similar compounds to monomer 50008230

Compile data set for download or QSAR
Wt: 1113.3
BDBM50008228
Wt: 993.1
BDBM50008226
Wt: 1026.1
BDBM50008235
Wt: 1231.3
BDBM50010167
Wt: 1189.2
BDBM50034686
Wt: 948.1
BDBM50112588
Wt: 2384.6
BDBM50140008
Wt: 1195.3
BDBM50191231
Wt: 2229.4
BDBM50215050
Wt: 1748.8
BDBM50265724
Wt: 1165.3
BDBM50318535
Wt: 1351.5
BDBM50318539
Wt: 1294.4
BDBM50318540
Wt: 1207.3
BDBM50318541
Wt: 1252.4
BDBM50318542
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50008228,50008226,50008235,50010167,50034686,50112588,50140008,50191231,50215050,50265724,50318535,50318539,50318540,50318541,50318542   
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
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318541
PNG
(Ac-ARAEVHLRKS-NH2 | CHEMBL1086450)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C51H90N20O14/c1-25(2)20-35(47(83)67-33(14-11-19-60-51(56)57)44(80)66-31(12-8-9-17-52)45(81)70-37(23-72)40(53)76)68-48(84)36(21-30-22-58-24-61-30)69-49(85)39(26(3)4)71-46(82)34(15-16-38(74)75)65-42(78)28(6)63-43(79)32(13-10-18-59-50(54)55)64-41(77)27(5)62-29(7)73/h22,24-28,31-37,39,72H,8-21,23,52H2,1-7H3,(H2,53,76)(H,58,61)(H,62,73)(H,63,79)(H,64,77)(H,65,78)(H,66,80)(H,67,83)(H,68,84)(H,69,85)(H,70,81)(H,71,82)(H,74,75)(H4,54,55,59)(H4,56,57,60)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,39-/m0/s1
PDB

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Article
PubMed
3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318542
PNG
(CHEMBL1086451 | H2N-SARAEVHLRKS-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C52H93N21O15/c1-25(2)19-35(48(86)69-33(13-10-18-62-52(58)59)45(83)68-31(11-7-8-16-53)46(84)72-37(23-75)40(55)78)70-49(87)36(20-29-21-60-24-63-29)71-50(88)39(26(3)4)73-47(85)34(14-15-38(76)77)67-42(80)28(6)65-44(82)32(12-9-17-61-51(56)57)66-41(79)27(5)64-43(81)30(54)22-74/h21,24-28,30-37,39,74-75H,7-20,22-23,53-54H2,1-6H3,(H2,55,78)(H,60,63)(H,64,81)(H,65,82)(H,66,79)(H,67,80)(H,68,83)(H,69,86)(H,70,87)(H,71,88)(H,72,84)(H,73,85)(H,76,77)(H4,56,57,61)(H4,58,59,62)/t27-,28-,30-,31-,32-,33-,34-,35-,36-,37-,39-/m0/s1
PDB

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20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318539
PNG
(Ac-GSARAEVHLRKS-NH2 | CHEMBL1086448)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C56H98N22O17/c1-27(2)20-37(51(92)74-35(14-11-19-65-56(61)62)48(89)73-33(12-8-9-17-57)49(90)77-39(24-79)44(58)85)75-52(93)38(21-32-22-63-26-67-32)76-54(95)43(28(3)4)78-50(91)36(15-16-42(83)84)72-46(87)29(5)68-47(88)34(13-10-18-64-55(59)60)71-45(86)30(6)69-53(94)40(25-80)70-41(82)23-66-31(7)81/h22,26-30,33-40,43,79-80H,8-21,23-25,57H2,1-7H3,(H2,58,85)(H,63,67)(H,66,81)(H,68,88)(H,69,94)(H,70,82)(H,71,86)(H,72,87)(H,73,89)(H,74,92)(H,75,93)(H,76,95)(H,77,90)(H,78,91)(H,83,84)(H4,59,60,64)(H4,61,62,65)/t29-,30-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1
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PubMed
160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50215050
PNG
(CHEMBL236933 | LTERHKILHRLLQEGSPSD)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCCC1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C96H161N31O30/c1-12-50(10)75(125-83(145)55(18-13-14-28-97)113-87(149)64(36-52-39-104-44-109-52)120-80(142)56(19-15-29-106-95(100)101)112-82(144)60(24-27-73(135)136)117-92(154)76(51(11)130)126-77(139)54(98)32-46(2)3)91(153)122-63(35-49(8)9)86(148)121-65(37-53-40-105-45-110-53)88(150)114-57(20-16-30-107-96(102)103)79(141)118-62(34-48(6)7)85(147)119-61(33-47(4)5)84(146)116-59(22-25-70(99)131)81(143)115-58(23-26-72(133)134)78(140)108-41-71(132)111-68(43-129)93(155)127-31-17-21-69(127)90(152)124-67(42-128)89(151)123-66(94(156)157)38-74(137)138/h39-40,44-51,54-69,75-76,128-130H,12-38,41-43,97-98H2,1-11H3,(H2,99,131)(H,104,109)(H,105,110)(H,108,140)(H,111,132)(H,112,144)(H,113,149)(H,114,150)(H,115,143)(H,116,146)(H,117,154)(H,118,141)(H,119,147)(H,120,142)(H,121,148)(H,122,153)(H,123,151)(H,124,152)(H,125,145)(H,126,139)(H,133,134)(H,135,136)(H,137,138)(H,156,157)(H4,100,101,106)(H4,102,103,107)/t50-,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69?,75-,76-/m0/s1
PDB

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190n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Displacement of iodoacetamide-fluorescein-labeled SRC3 from ERalpha by TR-FRET assay


Bioorg Med Chem Lett 17: 4118-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.058
BindingDB Entry DOI: 10.7270/Q2H70FHS
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318540
PNG
(Ac-SARAEVHLRKS-NH2 | CHEMBL1086449)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C54H95N21O16/c1-26(2)20-36(49(88)71-34(14-11-19-63-54(59)60)46(85)70-32(12-8-9-17-55)47(86)74-38(23-76)42(56)81)72-50(89)37(21-31-22-61-25-64-31)73-52(91)41(27(3)4)75-48(87)35(15-16-40(79)80)69-44(83)28(5)65-45(84)33(13-10-18-62-53(57)58)68-43(82)29(6)66-51(90)39(24-77)67-30(7)78/h22,25-29,32-39,41,76-77H,8-21,23-24,55H2,1-7H3,(H2,56,81)(H,61,64)(H,65,84)(H,66,90)(H,67,78)(H,68,82)(H,69,83)(H,70,85)(H,71,88)(H,72,89)(H,73,91)(H,74,86)(H,75,87)(H,79,80)(H4,57,58,62)(H4,59,60,63)/t28-,29-,32-,33-,34-,35-,36-,37-,38-,39-,41-/m0/s1
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UniProtKB/SwissProt

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200n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318535
PNG
(CHEMBL1086456 | H2N-ARAEVHLRKS-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C49H88N20O13/c1-24(2)19-33(45(80)65-31(13-10-18-59-49(55)56)42(77)64-29(11-7-8-16-50)43(78)68-35(22-70)38(52)73)66-46(81)34(20-28-21-57-23-60-28)67-47(82)37(25(3)4)69-44(79)32(14-15-36(71)72)63-40(75)27(6)61-41(76)30(62-39(74)26(5)51)12-9-17-58-48(53)54/h21,23-27,29-35,37,70H,7-20,22,50-51H2,1-6H3,(H2,52,73)(H,57,60)(H,61,76)(H,62,74)(H,63,75)(H,64,77)(H,65,80)(H,66,81)(H,67,82)(H,68,78)(H,69,79)(H,71,72)(H4,53,54,58)(H4,55,56,59)/t26-,27-,29-,30-,31-,32-,33-,34-,35-,37-/m0/s1
PDB

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PubMed
7.30E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010167
PNG
(1N-[1-[5-amino-1-formyl-(1S)-pentylcarbamoyl]-(1S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C52H82N18O17/c1-25(2)14-34(68-50(84)36(16-31-19-56-24-61-31)69-49(83)35(64-29(7)71)15-30-18-55-23-60-30)46(80)59-20-39(73)57-21-40(74)62-28(6)45(79)66-32(10-8-9-13-53)48(82)67-33(11-12-38(54)72)47(81)63-27(5)44(78)58-22-41(75)65-37(17-42(76)77)51(85)70-43(26(3)4)52(86)87/h18-19,23-28,32-37,43H,8-17,20-22,53H2,1-7H3,(H2,54,72)(H,55,60)(H,56,61)(H,57,73)(H,58,78)(H,59,80)(H,62,74)(H,63,81)(H,64,71)(H,65,75)(H,66,79)(H,67,82)(H,68,84)(H,69,83)(H,70,85)(H,76,77)(H,86,87)/t27-,28-,32-,33-,34-,35-,36-,37-,43-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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Article
PubMed
1.45E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50008228
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C53H88N14O12/c1-32(68)61-42(27-36-29-57-31-60-36)50(76)63-37(20-11-12-22-54)47(73)67-43(28-45(70)71)51(77)66-41(26-35-18-9-4-10-19-35)49(75)65-40(25-34-16-7-3-8-17-34)48(74)64-39(24-33-14-5-2-6-15-33)46(72)59-30-44(69)62-38(52(78)79)21-13-23-58-53(55)56/h29,31,33-35,37-43H,2-28,30,54H2,1H3,(H,57,60)(H,59,72)(H,61,68)(H,62,69)(H,63,76)(H,64,74)(H,65,75)(H,66,77)(H,67,73)(H,70,71)(H,78,79)(H4,55,56,58)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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PubMed
2.50E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor


J Med Chem 35: 220-3 (1992)


Article DOI: 10.1021/jm00080a004
BindingDB Entry DOI: 10.7270/Q21G0K7X
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112588
PNG
(2-[2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-butyrylamino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H77N13O10/c1-7-26(6)37(42(65)55-32(18-29-20-48-23-52-29)40(63)56-33(43(66)67)19-35(59)60)57-39(62)30(16-24(2)3)50-21-28(14-11-15-49-44(46)47)53-34(58)22-51-38(61)31(17-27-12-9-8-10-13-27)54-41(64)36(45)25(4)5/h20,23-28,30-33,36-37,50H,7-19,21-22,45H2,1-6H3,(H,48,52)(H,51,61)(H,53,58)(H,54,64)(H,55,65)(H,56,63)(H,57,62)(H,59,60)(H,66,67)(H4,46,47,49)/t26-,28-,30-,31-,32-,33-,36-,37-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
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Article
PubMed
7.16E+4n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50008235
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C42H71N15O13S/c1-22(2)16-29(35(63)49-20-33(60)52-28(41(69)70)9-7-14-48-42(45)46)56-37(65)26(10-11-32(44)59)54-38(66)27(12-15-71-4)55-40(68)31(18-34(61)62)57-36(64)25(8-5-6-13-43)53-39(67)30(51-23(3)58)17-24-19-47-21-50-24/h19,21-22,25-31H,5-18,20,43H2,1-4H3,(H2,44,59)(H,47,50)(H,49,63)(H,51,58)(H,52,60)(H,53,67)(H,54,66)(H,55,68)(H,56,65)(H,57,64)(H,61,62)(H,69,70)(H4,45,46,48)/t25-,26-,27+,28-,29-,30-,31-/m0/s1
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1.50E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor


J Med Chem 35: 220-3 (1992)


Article DOI: 10.1021/jm00080a004
BindingDB Entry DOI: 10.7270/Q21G0K7X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50008226
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C44H76N14O12/c1-5-8-14-28(37(63)50-24-35(60)53-32(43(69)70)18-13-20-49-44(46)47)54-38(64)29(15-9-6-2)55-39(65)30(16-10-7-3)56-42(68)34(22-36(61)62)58-40(66)31(17-11-12-19-45)57-41(67)33(52-26(4)59)21-27-23-48-25-51-27/h23,25,28-34H,5-22,24,45H2,1-4H3,(H,48,51)(H,50,63)(H,52,59)(H,53,60)(H,54,64)(H,55,65)(H,56,68)(H,57,67)(H,58,66)(H,61,62)(H,69,70)(H4,46,47,49)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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2.10E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor


J Med Chem 35: 220-3 (1992)


Article DOI: 10.1021/jm00080a004
BindingDB Entry DOI: 10.7270/Q21G0K7X
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010167
PNG
(1N-[1-[5-amino-1-formyl-(1S)-pentylcarbamoyl]-(1S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C52H82N18O17/c1-25(2)14-34(68-50(84)36(16-31-19-56-24-61-31)69-49(83)35(64-29(7)71)15-30-18-55-23-60-30)46(80)59-20-39(73)57-21-40(74)62-28(6)45(79)66-32(10-8-9-13-53)48(82)67-33(11-12-38(54)72)47(81)63-27(5)44(78)58-22-41(75)65-37(17-42(76)77)51(85)70-43(26(3)4)52(86)87/h18-19,23-28,32-37,43H,8-17,20-22,53H2,1-7H3,(H2,54,72)(H,55,60)(H,56,61)(H,57,73)(H,58,78)(H,59,80)(H,62,74)(H,63,81)(H,64,71)(H,65,75)(H,66,79)(H,67,82)(H,68,84)(H,69,83)(H,70,85)(H,76,77)(H,86,87)/t27-,28-,32-,33-,34-,35-,36-,37-,43-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318535
PNG
(CHEMBL1086456 | H2N-ARAEVHLRKS-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C49H88N20O13/c1-24(2)19-33(45(80)65-31(13-10-18-59-49(55)56)42(77)64-29(11-7-8-16-50)43(78)68-35(22-70)38(52)73)66-46(81)34(20-28-21-57-23-60-28)67-47(82)37(25(3)4)69-44(79)32(14-15-36(71)72)63-40(75)27(6)61-41(76)30(62-39(74)26(5)51)12-9-17-58-48(53)54/h21,23-27,29-35,37,70H,7-20,22,50-51H2,1-6H3,(H2,52,73)(H,57,60)(H,61,76)(H,62,74)(H,63,75)(H,64,77)(H,65,80)(H,66,81)(H,67,82)(H,68,78)(H,69,79)(H,71,72)(H4,53,54,58)(H4,55,56,59)/t26-,27-,29-,30-,31-,32-,33-,34-,35-,37-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318539
PNG
(Ac-GSARAEVHLRKS-NH2 | CHEMBL1086448)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C56H98N22O17/c1-27(2)20-37(51(92)74-35(14-11-19-65-56(61)62)48(89)73-33(12-8-9-17-57)49(90)77-39(24-79)44(58)85)75-52(93)38(21-32-22-63-26-67-32)76-54(95)43(28(3)4)78-50(91)36(15-16-42(83)84)72-46(87)29(5)68-47(88)34(13-10-18-64-55(59)60)71-45(86)30(6)69-53(94)40(25-80)70-41(82)23-66-31(7)81/h22,26-30,33-40,43,79-80H,8-21,23-25,57H2,1-7H3,(H2,58,85)(H,63,67)(H,66,81)(H,68,88)(H,69,94)(H,70,82)(H,71,86)(H,72,87)(H,73,89)(H,74,92)(H,75,93)(H,76,95)(H,77,90)(H,78,91)(H,83,84)(H4,59,60,64)(H4,61,62,65)/t29-,30-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1
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n/an/an/a 1.51E+4n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells after 24 hrs by optimized fluorescent polarization based saturation binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318542
PNG
(CHEMBL1086451 | H2N-SARAEVHLRKS-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C52H93N21O15/c1-25(2)19-35(48(86)69-33(13-10-18-62-52(58)59)45(83)68-31(11-7-8-16-53)46(84)72-37(23-75)40(55)78)70-49(87)36(20-29-21-60-24-63-29)71-50(88)39(26(3)4)73-47(85)34(14-15-38(76)77)67-42(80)28(6)65-44(82)32(12-9-17-61-51(56)57)66-41(79)27(5)64-43(81)30(54)22-74/h21,24-28,30-37,39,74-75H,7-20,22-23,53-54H2,1-6H3,(H2,55,78)(H,60,63)(H,64,81)(H,65,82)(H,66,79)(H,67,80)(H,68,83)(H,69,86)(H,70,87)(H,71,88)(H,72,84)(H,73,85)(H,76,77)(H4,56,57,61)(H4,58,59,62)/t27-,28-,30-,31-,32-,33-,34-,35-,36-,37-,39-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318541
PNG
(Ac-ARAEVHLRKS-NH2 | CHEMBL1086450)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C51H90N20O14/c1-25(2)20-35(47(83)67-33(14-11-19-60-51(56)57)44(80)66-31(12-8-9-17-52)45(81)70-37(23-72)40(53)76)68-48(84)36(21-30-22-58-24-61-30)69-49(85)39(26(3)4)71-46(82)34(15-16-38(74)75)65-42(78)28(6)63-43(79)32(13-10-18-59-50(54)55)64-41(77)27(5)62-29(7)73/h22,24-28,31-37,39,72H,8-21,23,52H2,1-7H3,(H2,53,76)(H,58,61)(H,62,73)(H,63,79)(H,64,77)(H,65,78)(H,66,80)(H,67,83)(H,68,84)(H,69,85)(H,70,81)(H,71,82)(H,74,75)(H4,54,55,59)(H4,56,57,60)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,39-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318540
PNG
(Ac-SARAEVHLRKS-NH2 | CHEMBL1086449)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C54H95N21O16/c1-26(2)20-36(49(88)71-34(14-11-19-63-54(59)60)46(85)70-32(12-8-9-17-55)47(86)74-38(23-76)42(56)81)72-50(89)37(21-31-22-61-25-64-31)73-52(91)41(27(3)4)75-48(87)35(15-16-40(79)80)69-44(83)28(5)65-45(84)33(13-10-18-62-53(57)58)68-43(82)29(6)66-51(90)39(24-77)67-30(7)78/h22,25-29,32-39,41,76-77H,8-21,23-24,55H2,1-7H3,(H2,56,81)(H,61,64)(H,65,84)(H,66,90)(H,67,78)(H,68,82)(H,69,83)(H,70,85)(H,71,88)(H,72,89)(H,73,91)(H,74,86)(H,75,87)(H,79,80)(H4,57,58,62)(H4,59,60,63)/t28-,29-,32-,33-,34-,35-,36-,37-,38-,39-,41-/m0/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265724
PNG
((2S,5S,8S,11S,14S)-8-((1H-imidazol-5-yl)methyl)-14...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C72H121N27O24/c1-10-34(7)56(68(120)85-30-52(105)90-45(25-53(106)107)65(117)96-46(26-54(108)109)66(118)94-43(23-37-28-81-31-86-37)63(115)95-44(24-49(76)102)64(116)92-41(70(122)123)15-13-21-83-72(79)80)99-69(121)57(35(8)11-2)98-58(110)36(9)87-62(114)42(22-32(3)4)93-60(112)40(17-19-48(75)101)91-59(111)38(14-12-20-82-71(77)78)89-51(104)29-84-67(119)55(33(5)6)97-61(113)39(16-18-47(74)100)88-50(103)27-73/h28,31-36,38-46,55-57H,10-27,29-30,73H2,1-9H3,(H2,74,100)(H2,75,101)(H2,76,102)(H,81,86)(H,84,119)(H,85,120)(H,87,114)(H,88,103)(H,89,104)(H,90,105)(H,91,111)(H,92,116)(H,93,112)(H,94,118)(H,95,115)(H,96,117)(H,97,113)(H,98,110)(H,99,121)(H,106,107)(H,108,109)(H,122,123)(H4,77,78,82)(H4,79,80,83)/t34-,35-,36-,38-,39-,40-,41-,42-,43-,44-,45-,46-,55-,56-,57-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
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n/an/an/an/a 5.12E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50140008
PNG
(CHEMBL267350 | R-S-G-P-P-G-L-Q-G-R-L-Q-R-L-L-Q-A-S...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C100H170N38O30/c1-47(2)33-61(125-77(147)42-118-95(165)69-20-15-32-138(69)96(166)70-21-16-31-137(70)78(148)43-119-84(154)68(45-140)136-81(151)55(101)17-12-28-113-98(106)107)90(160)128-58(22-25-71(102)141)82(152)116-40-75(145)124-56(18-13-29-114-99(108)109)86(156)131-62(34-48(3)4)91(161)130-60(24-27-73(104)143)88(158)127-57(19-14-30-115-100(110)111)87(157)132-64(36-50(7)8)93(163)133-63(35-49(5)6)92(162)129-59(23-26-72(103)142)85(155)121-52(10)80(150)135-67(44-139)83(153)117-41-76(146)126-66(38-74(105)144)94(164)134-65(37-54-39-112-46-120-54)89(159)122-51(9)79(149)123-53(11)97(167)168/h39,46-53,55-70,139-140H,12-38,40-45,101H2,1-11H3,(H2,102,141)(H2,103,142)(H2,104,143)(H2,105,144)(H,112,120)(H,116,152)(H,117,153)(H,118,165)(H,119,154)(H,121,155)(H,122,159)(H,123,149)(H,124,145)(H,125,147)(H,126,146)(H,127,158)(H,128,160)(H,129,162)(H,130,161)(H,131,156)(H,132,157)(H,133,163)(H,134,164)(H,135,150)(H,136,151)(H,167,168)(H4,106,107,113)(H4,108,109,114)(H4,110,111,115)/t51-,52-,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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Reactome pathway
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Effective agonist concentration to the human Orexin receptor type 2 was determined using the Xlfit program


J Med Chem 47: 1153-60 (2004)


Article DOI: 10.1021/jm030982t
BindingDB Entry DOI: 10.7270/Q2WD400B
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50140008
PNG
(CHEMBL267350 | R-S-G-P-P-G-L-Q-G-R-L-Q-R-L-L-Q-A-S...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C100H170N38O30/c1-47(2)33-61(125-77(147)42-118-95(165)69-20-15-32-138(69)96(166)70-21-16-31-137(70)78(148)43-119-84(154)68(45-140)136-81(151)55(101)17-12-28-113-98(106)107)90(160)128-58(22-25-71(102)141)82(152)116-40-75(145)124-56(18-13-29-114-99(108)109)86(156)131-62(34-48(3)4)91(161)130-60(24-27-73(104)143)88(158)127-57(19-14-30-115-100(110)111)87(157)132-64(36-50(7)8)93(163)133-63(35-49(5)6)92(162)129-59(23-26-72(103)142)85(155)121-52(10)80(150)135-67(44-139)83(153)117-41-76(146)126-66(38-74(105)144)94(164)134-65(37-54-39-112-46-120-54)89(159)122-51(9)79(149)123-53(11)97(167)168/h39,46-53,55-70,139-140H,12-38,40-45,101H2,1-11H3,(H2,102,141)(H2,103,142)(H2,104,143)(H2,105,144)(H,112,120)(H,116,152)(H,117,153)(H,118,165)(H,119,154)(H,121,155)(H,122,159)(H,123,149)(H,124,145)(H,125,147)(H,126,146)(H,127,158)(H,128,160)(H,129,162)(H,130,161)(H,131,156)(H,132,157)(H,133,163)(H,134,164)(H,135,150)(H,136,151)(H,167,168)(H4,106,107,113)(H4,108,109,114)(H4,110,111,115)/t51-,52-,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Effective agonist concentration to human orexin receptor type 1 determined using the Xlfit program


J Med Chem 47: 1153-60 (2004)


Article DOI: 10.1021/jm030982t
BindingDB Entry DOI: 10.7270/Q2WD400B
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50191231
PNG
(CHEMBL413690 | H-VRDQAEHLKT-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C50H86N18O16/c1-23(2)18-32(46(81)62-28(10-7-8-16-51)45(80)68-39(26(6)69)40(54)75)65-47(82)33(19-27-21-57-22-59-27)66-44(79)31(13-15-36(71)72)61-41(76)25(5)60-42(77)30(12-14-35(52)70)63-48(83)34(20-37(73)74)67-43(78)29(11-9-17-58-50(55)56)64-49(84)38(53)24(3)4/h21-26,28-34,38-39,69H,7-20,51,53H2,1-6H3,(H2,52,70)(H2,54,75)(H,57,59)(H,60,77)(H,61,76)(H,62,81)(H,63,83)(H,64,84)(H,65,82)(H,66,79)(H,67,78)(H,68,80)(H,71,72)(H,73,74)(H4,55,56,58)/t25-,26+,28-,29-,30-,31-,32-,33-,34-,38-,39-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Graduate School of the Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 integrase 3' processing activity


J Med Chem 49: 4477-86 (2006)


Article DOI: 10.1021/jm060307u
BindingDB Entry DOI: 10.7270/Q2736QJZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50191231
PNG
(CHEMBL413690 | H-VRDQAEHLKT-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C50H86N18O16/c1-23(2)18-32(46(81)62-28(10-7-8-16-51)45(80)68-39(26(6)69)40(54)75)65-47(82)33(19-27-21-57-22-59-27)66-44(79)31(13-15-36(71)72)61-41(76)25(5)60-42(77)30(12-14-35(52)70)63-48(83)34(20-37(73)74)67-43(78)29(11-9-17-58-50(55)56)64-49(84)38(53)24(3)4/h21-26,28-34,38-39,69H,7-20,51,53H2,1-6H3,(H2,52,70)(H2,54,75)(H,57,59)(H,60,77)(H,61,76)(H,62,81)(H,63,83)(H,64,84)(H,65,82)(H,66,79)(H,67,78)(H,68,80)(H,71,72)(H,73,74)(H4,55,56,58)/t25-,26+,28-,29-,30-,31-,32-,33-,34-,38-,39-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Graduate School of the Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 integrase strand transfer activity


J Med Chem 49: 4477-86 (2006)


Article DOI: 10.1021/jm060307u
BindingDB Entry DOI: 10.7270/Q2736QJZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50034686
PNG
(CHEMBL409436 | HisHisLeuGlyGlyAlaLysGlnAlaGlyAspVa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C50H80N18O16/c1-24(2)13-33(67-48(81)34(15-29-18-55-23-60-29)66-44(77)30(52)14-28-17-54-22-59-28)45(78)58-19-37(70)56-20-38(71)61-27(6)43(76)64-31(9-7-8-12-51)47(80)65-32(10-11-36(53)69)46(79)62-26(5)42(75)57-21-39(72)63-35(16-40(73)74)49(82)68-41(25(3)4)50(83)84/h17-18,22-27,30-35,41H,7-16,19-21,51-52H2,1-6H3,(H2,53,69)(H,54,59)(H,55,60)(H,56,70)(H,57,75)(H,58,78)(H,61,71)(H,62,79)(H,63,72)(H,64,76)(H,65,80)(H,66,77)(H,67,81)(H,68,82)(H,73,74)(H,83,84)/t26-,27-,30-,31-,32-,33-,34-,35-,41-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to isolated alpha IIb beta3 integrin


J Med Chem 38: 1582-92 (1995)


Article DOI: 10.1021/jm00010a002
BindingDB Entry DOI: 10.7270/Q2GB233R
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318539
PNG
(Ac-GSARAEVHLRKS-NH2 | CHEMBL1086448)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C56H98N22O17/c1-27(2)20-37(51(92)74-35(14-11-19-65-56(61)62)48(89)73-33(12-8-9-17-57)49(90)77-39(24-79)44(58)85)75-52(93)38(21-32-22-63-26-67-32)76-54(95)43(28(3)4)78-50(91)36(15-16-42(83)84)72-46(87)29(5)68-47(88)34(13-10-18-64-55(59)60)71-45(86)30(6)69-53(94)40(25-80)70-41(82)23-66-31(7)81/h22,26-30,33-40,43,79-80H,8-21,23-25,57H2,1-7H3,(H2,58,85)(H,63,67)(H,66,81)(H,68,88)(H,69,94)(H,70,82)(H,71,86)(H,72,87)(H,73,89)(H,74,92)(H,75,93)(H,76,95)(H,77,90)(H,78,91)(H,83,84)(H4,59,60,64)(H4,61,62,65)/t29-,30-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair