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32 similar compounds to monomer 50441685

Compile data set for download or QSAR
Wt: 1113.3
BDBM50008228
Wt: 993.1
BDBM50008226
Wt: 2839.2
BDBM50121816
Wt: 2345.6
BDBM50140003
Wt: 2568.8
BDBM50140005
Wt: 2384.6
BDBM50140008
Wt: 407.4
BDBM50208101
Wt: 1748.8
BDBM50265724
Wt: 778.8
BDBM50242426
Wt: 1447.6
BDBM50270259
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 32 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50008228,50008226,50121816,50140003,50140005,50140008,50208101,50265724,50242426,50270259,50318535,50318539,50318540,50318541,50318542   
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

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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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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PubMed
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
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270259
PNG
(CHEMBL525026 | TPRHRRRKKRG)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(O)=O
Show InChI InChI=1S/C59H110N30O13/c1-32(90)44(62)54(102)89-27-11-19-42(89)53(101)87-40(18-10-26-78-59(71)72)51(99)88-41(28-33-29-73-31-80-33)52(100)86-39(17-9-25-77-58(69)70)50(98)85-38(16-8-24-76-57(67)68)49(97)84-37(15-7-23-75-56(65)66)48(96)83-36(13-3-5-21-61)47(95)82-35(12-2-4-20-60)46(94)81-34(14-6-22-74-55(63)64)45(93)79-30-43(91)92/h29,31-32,34-42,44,90H,2-28,30,60-62H2,1H3,(H,73,80)(H,79,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)(H,85,98)(H,86,100)(H,87,101)(H,88,99)(H,91,92)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)(H4,69,70,77)(H4,71,72,78)/t32-,34+,35+,36+,37+,38+,39+,40+,41+,42+,44+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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Article
PubMed
>100n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
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

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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
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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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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50208101
PNG
((2S,3R)-2-((S)-1-((S)-2-acetamido-3-(1H-imidazol-5...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(O)=O
Show InChI InChI=1S/C19H29N5O5/c1-4-11(2)16(19(28)29)23-17(26)15-6-5-7-24(15)18(27)14(22-12(3)25)8-13-9-20-10-21-13/h9-11,14-16H,4-8H2,1-3H3,(H,20,21)(H,22,25)(H,23,26)(H,28,29)/t11-,14+,15+,16+/m1/s1
PDB

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UniProtKB/SwissProt

DrugBank
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PubMed
1.11E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in pig uterus myometrial membrane


J Med Chem 50: 1711-5 (2007)


Article DOI: 10.1021/jm0613469
BindingDB Entry DOI: 10.7270/Q2NK3FTN
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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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
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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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
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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PubMed
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
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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PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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))
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
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))
BDBM50140005
PNG
(CHEMBL438032 | R-S-G-P-P-G-L-Q-G-R-L-Q-R-L-L-Q-A-S...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C109H186N40O32/c1-15-56(10)86(106(180)181)146-84(159)47-125-87(161)57(11)131-88(162)58(12)133-98(172)69(41-60-43-121-51-130-60)142-101(175)70(42-80(114)155)136-82(157)45-127-92(166)72(49-150)144-89(163)59(13)132-94(168)65(27-30-78(112)153)140-103(177)76(40-55(8)9)147(14)104(178)71(39-54(6)7)143-96(170)63(23-18-34-124-109(119)120)137-97(171)66(28-31-79(113)154)139-100(174)68(38-53(4)5)141-95(169)62(22-17-33-123-108(117)118)134-81(156)44-126-91(165)64(26-29-77(111)152)138-99(173)67(37-52(2)3)135-83(158)46-128-102(176)74-24-19-36-149(74)105(179)75-25-20-35-148(75)85(160)48-129-93(167)73(50-151)145-90(164)61(110)21-16-32-122-107(115)116/h43,51-59,61-76,86,150-151H,15-42,44-50,110H2,1-14H3,(H2,111,152)(H2,112,153)(H2,113,154)(H2,114,155)(H,121,130)(H,125,161)(H,126,165)(H,127,166)(H,128,176)(H,129,167)(H,131,162)(H,132,168)(H,133,172)(H,134,156)(H,135,158)(H,136,157)(H,137,171)(H,138,173)(H,139,174)(H,140,177)(H,141,169)(H,142,175)(H,143,170)(H,144,163)(H,145,164)(H,146,159)(H,180,181)(H4,115,116,122)(H4,117,118,123)(H4,119,120,124)/t56-,57-,58-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,86-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 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 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 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
AffyNet 
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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50140005
PNG
(CHEMBL438032 | R-S-G-P-P-G-L-Q-G-R-L-Q-R-L-L-Q-A-S...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C109H186N40O32/c1-15-56(10)86(106(180)181)146-84(159)47-125-87(161)57(11)131-88(162)58(12)133-98(172)69(41-60-43-121-51-130-60)142-101(175)70(42-80(114)155)136-82(157)45-127-92(166)72(49-150)144-89(163)59(13)132-94(168)65(27-30-78(112)153)140-103(177)76(40-55(8)9)147(14)104(178)71(39-54(6)7)143-96(170)63(23-18-34-124-109(119)120)137-97(171)66(28-31-79(113)154)139-100(174)68(38-53(4)5)141-95(169)62(22-17-33-123-108(117)118)134-81(156)44-126-91(165)64(26-29-77(111)152)138-99(173)67(37-52(2)3)135-83(158)46-128-102(176)74-24-19-36-149(74)105(179)75-25-20-35-148(75)85(160)48-129-93(167)73(50-151)145-90(164)61(110)21-16-32-122-107(115)116/h43,51-59,61-76,86,150-151H,15-42,44-50,110H2,1-14H3,(H2,111,152)(H2,112,153)(H2,113,154)(H2,114,155)(H,121,130)(H,125,161)(H,126,165)(H,127,166)(H,128,176)(H,129,167)(H,131,162)(H,132,168)(H,133,172)(H,134,156)(H,135,158)(H,136,157)(H,137,171)(H,138,173)(H,139,174)(H,140,177)(H,141,169)(H,142,175)(H,143,170)(H,144,163)(H,145,164)(H,146,159)(H,180,181)(H4,115,116,122)(H4,117,118,123)(H4,119,120,124)/t56-,57-,58-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,86-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50140003
PNG
(CHEMBL263625 | G-L-Q-G-R-L-Q-R-L-L-Q-A-S-G-N-H-A-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C100H173N35O30/c1-18-50(12)78(96(162)132-66(35-49(10)11)95(161)135-79(55(17)137)97(163)120-54(16)98(164)165)134-77(145)42-113-80(146)51(13)117-81(147)52(14)119-89(155)67(36-56-39-110-44-116-56)131-94(160)68(37-73(105)141)123-76(144)41-115-84(150)69(43-136)133-82(148)53(15)118-85(151)60(24-27-71(103)139)126-92(158)64(33-47(6)7)130-93(159)65(34-48(8)9)129-87(153)58(22-20-30-112-100(108)109)124-88(154)61(25-28-72(104)140)127-91(157)63(32-46(4)5)128-86(152)57(21-19-29-111-99(106)107)121-75(143)40-114-83(149)59(23-26-70(102)138)125-90(156)62(31-45(2)3)122-74(142)38-101/h39,44-55,57-69,78-79,136-137H,18-38,40-43,101H2,1-17H3,(H2,102,138)(H2,103,139)(H2,104,140)(H2,105,141)(H,110,116)(H,113,146)(H,114,149)(H,115,150)(H,117,147)(H,118,151)(H,119,155)(H,120,163)(H,121,143)(H,122,142)(H,123,144)(H,124,154)(H,125,156)(H,126,158)(H,127,157)(H,128,152)(H,129,153)(H,130,159)(H,131,160)(H,132,162)(H,133,148)(H,134,145)(H,135,161)(H,164,165)(H4,106,107,111)(H4,108,109,112)/t50-,51-,52-,53-,54-,55+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,78-,79-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 750n/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))
BDBM50140003
PNG
(CHEMBL263625 | G-L-Q-G-R-L-Q-R-L-L-Q-A-S-G-N-H-A-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C100H173N35O30/c1-18-50(12)78(96(162)132-66(35-49(10)11)95(161)135-79(55(17)137)97(163)120-54(16)98(164)165)134-77(145)42-113-80(146)51(13)117-81(147)52(14)119-89(155)67(36-56-39-110-44-116-56)131-94(160)68(37-73(105)141)123-76(144)41-115-84(150)69(43-136)133-82(148)53(15)118-85(151)60(24-27-71(103)139)126-92(158)64(33-47(6)7)130-93(159)65(34-48(8)9)129-87(153)58(22-20-30-112-100(108)109)124-88(154)61(25-28-72(104)140)127-91(157)63(32-46(4)5)128-86(152)57(21-19-29-111-99(106)107)121-75(143)40-114-83(149)59(23-26-70(102)138)125-90(156)62(31-45(2)3)122-74(142)38-101/h39,44-55,57-69,78-79,136-137H,18-38,40-43,101H2,1-17H3,(H2,102,138)(H2,103,139)(H2,104,140)(H2,105,141)(H,110,116)(H,113,146)(H,114,149)(H,115,150)(H,117,147)(H,118,151)(H,119,155)(H,120,163)(H,121,143)(H,122,142)(H,123,144)(H,124,154)(H,125,156)(H,126,158)(H,127,157)(H,128,152)(H,129,153)(H,130,159)(H,131,160)(H,132,162)(H,133,148)(H,134,145)(H,135,161)(H,164,165)(H4,106,107,111)(H4,108,109,112)/t50-,51-,52-,53-,54-,55+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,78-,79-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.84E+3n/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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50121816
PNG
(CHEMBL430080 | [Ala28]orexin-B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C121H208N44O35/c1-18-61(12)94(162-112(194)78(44-60(10)11)161-117(199)95(66(17)168)163-97(179)62(13)122)116(198)141-48-89(173)144-63(14)98(180)145-64(15)100(182)155-79(45-67-47-134-55-143-67)111(193)160-80(46-88(126)172)103(185)139-50-91(175)148-81(53-166)113(195)146-65(16)99(181)151-72(30-33-86(124)170)106(188)158-77(43-59(8)9)110(192)159-76(42-58(6)7)109(191)153-70(26-21-37-137-121(132)133)104(186)154-73(31-34-87(125)171)107(189)157-75(41-57(4)5)108(190)152-69(25-20-36-136-120(130)131)101(183)138-49-90(174)147-71(29-32-85(123)169)105(187)156-74(40-56(2)3)102(184)142-52-93(177)164-38-23-28-84(164)118(200)165-39-22-27-83(165)115(197)140-51-92(176)149-82(54-167)114(196)150-68(96(127)178)24-19-35-135-119(128)129/h47,55-66,68-84,94-95,166-168H,18-46,48-54,122H2,1-17H3,(H2,123,169)(H2,124,170)(H2,125,171)(H2,126,172)(H2,127,178)(H,134,143)(H,138,183)(H,139,185)(H,140,197)(H,141,198)(H,142,184)(H,144,173)(H,145,180)(H,146,195)(H,147,174)(H,148,175)(H,149,176)(H,150,196)(H,151,181)(H,152,190)(H,153,191)(H,154,186)(H,155,182)(H,156,187)(H,157,189)(H,158,188)(H,159,192)(H,160,193)(H,161,199)(H,162,194)(H,163,179)(H4,128,129,135)(H4,130,131,136)(H4,132,133,137)/t61-,62-,63-,64-,65-,66+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,94-,95-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Agonist activity against human orexin 2 receptor; EC50; nM


Bioorg Med Chem Lett 13: 111-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00851-x
BindingDB Entry DOI: 10.7270/Q2HD7V0D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50121816
PNG
(CHEMBL430080 | [Ala28]orexin-B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C121H208N44O35/c1-18-61(12)94(162-112(194)78(44-60(10)11)161-117(199)95(66(17)168)163-97(179)62(13)122)116(198)141-48-89(173)144-63(14)98(180)145-64(15)100(182)155-79(45-67-47-134-55-143-67)111(193)160-80(46-88(126)172)103(185)139-50-91(175)148-81(53-166)113(195)146-65(16)99(181)151-72(30-33-86(124)170)106(188)158-77(43-59(8)9)110(192)159-76(42-58(6)7)109(191)153-70(26-21-37-137-121(132)133)104(186)154-73(31-34-87(125)171)107(189)157-75(41-57(4)5)108(190)152-69(25-20-36-136-120(130)131)101(183)138-49-90(174)147-71(29-32-85(123)169)105(187)156-74(40-56(2)3)102(184)142-52-93(177)164-38-23-28-84(164)118(200)165-39-22-27-83(165)115(197)140-51-92(176)149-82(54-167)114(196)150-68(96(127)178)24-19-35-135-119(128)129/h47,55-66,68-84,94-95,166-168H,18-46,48-54,122H2,1-17H3,(H2,123,169)(H2,124,170)(H2,125,171)(H2,126,172)(H2,127,178)(H,134,143)(H,138,183)(H,139,185)(H,140,197)(H,141,198)(H,142,184)(H,144,173)(H,145,180)(H,146,195)(H,147,174)(H,148,175)(H,149,176)(H,150,196)(H,151,181)(H,152,190)(H,153,191)(H,154,186)(H,155,182)(H,156,187)(H,157,189)(H,158,188)(H,159,192)(H,160,193)(H,161,199)(H,162,194)(H,163,179)(H4,128,129,135)(H4,130,131,136)(H4,132,133,137)/t61-,62-,63-,64-,65-,66+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,94-,95-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Agonist activity against human orexin 1 receptor; EC50; nM


Bioorg Med Chem Lett 13: 111-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00851-x
BindingDB Entry DOI: 10.7270/Q2HD7V0D
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50242426
PNG
(Ac-SHLGLAR-H | CHEMBL504763)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C34H58N12O9/c1-18(2)10-24(45-32(54)26(12-23-13-37-17-40-23)46-33(55)27(16-48)42-21(6)49)30(52)39-14-28(50)44-25(11-19(3)4)31(53)41-20(5)29(51)43-22(15-47)8-7-9-38-34(35)36/h13,15,17-20,22,24-27,48H,7-12,14,16H2,1-6H3,(H,37,40)(H,39,52)(H,41,53)(H,42,49)(H,43,51)(H,44,50)(H,45,54)(H,46,55)(H4,35,36,38)/t20-,22-,24-,25-,26-,27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B


J Biol Chem 282: 34809-16 (2007)


Article DOI: 10.1074/jbc.M705646200
BindingDB Entry DOI: 10.7270/Q21V5DR8
More data for this
Ligand-Target Pair