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25 similar compounds to monomer 50220502

Compile data set for download or QSAR
Wt: 420.5
BDBM50029513
Wt: 420.5
BDBM50029501
Wt: 407.5
BDBM50046349
Wt: 1211.4
BDBM50198876
Wt: 360.4
BDBM50311174
Wt: 725.9
BDBM50311411
Wt: 346.4
BDBM50311215
Wt: 286.3
BDBM50318549
Wt: 371.4
BDBM50318521
Wt: 385.4
BDBM50318522
Wt: 315.3
BDBM50318536
Wt: 343.3
BDBM50318537
Wt: 371.4
BDBM50318538
Wt: 357.4
BDBM50318548
Wt: 517.5
BDBM50174335
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50029513,50029501,50046349,50198876,50311174,50311411,50311215,50318549,50318521,50318522,50318536,50318537,50318538,50318548,50174335   
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))
BDBM50318548
PNG
(Ac-ARA-NH2 | CHEMBL1086455)
Show SMILES C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(N)=O
Show InChI InChI=1S/C14H27N7O4/c1-7(11(15)23)20-13(25)10(5-4-6-18-14(16)17)21-12(24)8(2)19-9(3)22/h7-8,10H,4-6H2,1-3H3,(H2,15,23)(H,19,22)(H,20,25)(H,21,24)(H4,16,17,18)/t7-,8-,10-/m0/s1
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120n/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))
BDBM50318521
PNG
(Ac-ARA-CONHMe | CHEMBL1084621)
Show SMILES CNC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O
Show InChI InChI=1S/C15H29N7O4/c1-8(12(24)18-4)21-14(26)11(6-5-7-19-15(16)17)22-13(25)9(2)20-10(3)23/h8-9,11H,5-7H2,1-4H3,(H,18,24)(H,20,23)(H,21,26)(H,22,25)(H4,16,17,19)/t8-,9-,11-/m0/s1
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150n/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))
BDBM50318537
PNG
(CHEMBL1086083 | CHO-ARA-NH2)
Show SMILES C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC=O)C(N)=O
Show InChI InChI=1S/C13H25N7O4/c1-7(10(14)22)19-12(24)9(4-3-5-17-13(15)16)20-11(23)8(2)18-6-21/h6-9H,3-5H2,1-2H3,(H2,14,22)(H,18,21)(H,19,24)(H,20,23)(H4,15,16,17)/t7-,8-,9-/m0/s1
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3.20E+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))
BDBM50318522
PNG
(Ac-ARA-CONMe2 | CHEMBL1084622)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N(C)C
Show InChI InChI=1S/C16H31N7O4/c1-9(20-11(3)24)13(25)22-12(7-6-8-19-16(17)18)14(26)21-10(2)15(27)23(4)5/h9-10,12H,6-8H2,1-5H3,(H,20,24)(H,21,26)(H,22,25)(H4,17,18,19)/t9-,10-,12-/m0/s1
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6.50E+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))
BDBM50318549
PNG
(Ac-AR-NH2 | CHEMBL1085605)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C11H22N6O3/c1-6(16-7(2)18)10(20)17-8(9(12)19)4-3-5-15-11(13)14/h6,8H,3-5H2,1-2H3,(H2,12,19)(H,16,18)(H,17,20)(H4,13,14,15)/t6-,8-/m0/s1
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2.70E+4n/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))
BDBM50318536
PNG
(CHEMBL1085606 | H2N-ARA-NH2)
Show SMILES C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C12H25N7O3/c1-6(13)10(21)19-8(4-3-5-17-12(15)16)11(22)18-7(2)9(14)20/h6-8H,3-5,13H2,1-2H3,(H2,14,20)(H,18,22)(H,19,21)(H4,15,16,17)/t6-,7-,8-/m0/s1
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>5.00E+4n/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))
BDBM50318538
PNG
(Ac-AR-(N-Me)A-NH2 | CHEMBL1084620)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(C)[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H29N7O4/c1-8(20-10(3)23)13(25)21-11(6-5-7-19-15(17)18)14(26)22(4)9(2)12(16)24/h8-9,11H,5-7H2,1-4H3,(H2,16,24)(H,20,23)(H,21,25)(H4,17,18,19)/t8-,9-,11-/m0/s1
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>5.00E+4n/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
Pseudolysin


(Pseudomonas aeruginosa)
BDBM50311215
PNG
((S)-5-guanidino-2-((S)-2-(2-mercaptoacetamido)-3-m...)
Show SMILES CC(C)[C@H](NC(=O)CS)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C13H26N6O3S/c1-7(2)10(19-9(20)6-23)12(22)18-8(11(14)21)4-3-5-17-13(15)16/h7-8,10,23H,3-6H2,1-2H3,(H2,14,21)(H,18,22)(H,19,20)(H4,15,16,17)/t8-,10-/m0/s1
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6.90E+4n/an/an/an/an/an/a7.2n/a



Queen's University of Belfast

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasB by fluorimetric assay in buffer of pH 7.2


Bioorg Med Chem Lett 19: 6230-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.099
BindingDB Entry DOI: 10.7270/Q2B27VDS
More data for this
Ligand-Target Pair
Pseudolysin


(Pseudomonas aeruginosa)
BDBM50311174
PNG
((S)-N-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-2...)
Show SMILES CC(C)C[C@H](NC(=O)CS)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C14H28N6O3S/c1-8(2)6-10(19-11(21)7-24)13(23)20-9(12(15)22)4-3-5-18-14(16)17/h8-10,24H,3-7H2,1-2H3,(H2,15,22)(H,19,21)(H,20,23)(H4,16,17,18)/t9-,10-/m0/s1
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6.23E+5n/an/an/an/an/an/a7.2n/a



Queen's University of Belfast

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasB by fluorimetric assay in buffer of pH 7.2


Bioorg Med Chem Lett 19: 6230-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.099
BindingDB Entry DOI: 10.7270/Q2B27VDS
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50029513
PNG
((S)-1-((4aS,8aS)-Decahydro-isoquinoline-3-carbonyl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h13-18,25H,1-12H2,(H,26,29)(H4,22,23,24)/t14-,15+,16-,17-,18-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Coagulation factor X


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50046349
PNG
(1-(4-Cyclohexyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)CCCC1CCCCC1)C=O
Show InChI InChI=1S/C21H37N5O3/c22-21(23)24-13-5-10-17(15-27)25-20(29)18-11-6-14-26(18)19(28)12-4-9-16-7-2-1-3-8-16/h15-18H,1-14H2,(H,25,29)(H4,22,23,24)
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n/an/an/an/a 5.60E+4n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit thrombin hydrolysis of the chromogenic substrate


J Med Chem 36: 300-3 (1993)


Article DOI: 10.1021/jm00054a018
BindingDB Entry DOI: 10.7270/Q2JM28Q8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311411
PNG
((R)-2-(6-acetamidohexanamido)-6-amino-N-(6-((R)-1-...)
Show SMILES CC(=O)NCCCCCC(=O)N[C@H](CCCCN)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C32H63N13O6/c1-22(46)39-18-8-2-4-15-26(47)43-24(12-6-7-17-33)29(50)40-19-9-3-5-16-27(48)44-25(14-11-21-42-32(37)38)30(51)45-23(28(34)49)13-10-20-41-31(35)36/h23-25H,2-21,33H2,1H3,(H2,34,49)(H,39,46)(H,40,50)(H,43,47)(H,44,48)(H,45,51)(H4,35,36,41)(H4,37,38,42)/t23-,24-,25-/m1/s1
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n/an/an/a 1.23E+5n/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of ARC583 from ROCK2


Bioorg Med Chem Lett 19: 6098-101 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.026
BindingDB Entry DOI: 10.7270/Q2JM29R4
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50198876
PNG
(Ac-VPPPVPPRRR-NH2 | CHEMBL390420)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=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(N)=O
Show InChI InChI=1S/C55H94N20O11/c1-30(2)41(66-32(5)76)51(85)74-28-13-21-40(74)50(84)73-27-11-19-38(73)48(82)72-26-10-18-37(72)47(81)70-42(31(3)4)52(86)75-29-12-20-39(75)49(83)71-25-9-17-36(71)46(80)69-35(16-8-24-65-55(61)62)45(79)68-34(15-7-23-64-54(59)60)44(78)67-33(43(56)77)14-6-22-63-53(57)58/h30-31,33-42H,6-29H2,1-5H3,(H2,56,77)(H,66,76)(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H4,57,58,63)(H4,59,60,64)(H4,61,62,65)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/a 3.67E+3n/an/an/an/an/a



Université Pierre et Marie Curie-Paris 6

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Grb2-SH3 domain by fluorescence spectroscopy


Bioorg Med Chem 15: 1439-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.002
BindingDB Entry DOI: 10.7270/Q29W0F50
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50174335
PNG
(CHEMBL3809957)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)cc2)c1
Show InChI InChI=1S/C32H27N3O4/c1-37-25-8-6-7-21(19-25)11-17-28(36)22-12-15-24(16-13-22)33-32-26-9-4-5-10-27(26)34-31(35-32)23-14-18-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b17-11+
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n/an/a 1.46E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 in human A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50174335
PNG
(CHEMBL3809957)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)cc2)c1
Show InChI InChI=1S/C32H27N3O4/c1-37-25-8-6-7-21(19-25)11-17-28(36)22-12-15-24(16-13-22)33-32-26-9-4-5-10-27(26)34-31(35-32)23-14-18-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b17-11+
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n/an/a 360n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst...


Eur J Med Chem 117: 212-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.067
BindingDB Entry DOI: 10.7270/Q23J3FW7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50311411
PNG
((R)-2-(6-acetamidohexanamido)-6-amino-N-(6-((R)-1-...)
Show SMILES CC(=O)NCCCCCC(=O)N[C@H](CCCCN)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C32H63N13O6/c1-22(46)39-18-8-2-4-15-26(47)43-24(12-6-7-17-33)29(50)40-19-9-3-5-16-27(48)44-25(14-11-21-42-32(37)38)30(51)45-23(28(34)49)13-10-20-41-31(35)36/h23-25H,2-21,33H2,1H3,(H2,34,49)(H,39,46)(H,40,50)(H,43,47)(H,44,48)(H,45,51)(H4,35,36,41)(H4,37,38,42)/t23-,24-,25-/m1/s1
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n/an/a>2n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKBgamma in presence of 100 uM ATP


Bioorg Med Chem Lett 19: 6098-101 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.026
BindingDB Entry DOI: 10.7270/Q2JM29R4
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318548
PNG
(Ac-ARA-NH2 | CHEMBL1086455)
Show SMILES C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(N)=O
Show InChI InChI=1S/C14H27N7O4/c1-7(11(15)23)20-13(25)10(5-4-6-18-14(16)17)21-12(24)8(2)19-9(3)22/h7-8,10H,4-6H2,1-3H3,(H2,15,23)(H,19,22)(H,20,25)(H,21,24)(H4,16,17,18)/t7-,8-,10-/m0/s1
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n/an/a 540n/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))
BDBM50318549
PNG
(Ac-AR-NH2 | CHEMBL1085605)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C11H22N6O3/c1-6(16-7(2)18)10(20)17-8(9(12)19)4-3-5-15-11(13)14/h6,8H,3-5H2,1-2H3,(H2,12,19)(H,16,18)(H,17,20)(H4,13,14,15)/t6-,8-/m0/s1
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n/an/a 1.25E+5n/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))
BDBM50318521
PNG
(Ac-ARA-CONHMe | CHEMBL1084621)
Show SMILES CNC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O
Show InChI InChI=1S/C15H29N7O4/c1-8(12(24)18-4)21-14(26)11(6-5-7-19-15(16)17)22-13(25)9(2)20-10(3)23/h8-9,11H,5-7H2,1-4H3,(H,18,24)(H,20,23)(H,21,26)(H,22,25)(H4,16,17,19)/t8-,9-,11-/m0/s1
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n/an/a 700n/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))
BDBM50318522
PNG
(Ac-ARA-CONMe2 | CHEMBL1084622)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N(C)C
Show InChI InChI=1S/C16H31N7O4/c1-9(20-11(3)24)13(25)22-12(7-6-8-19-16(17)18)14(26)21-10(2)15(27)23(4)5/h9-10,12H,6-8H2,1-5H3,(H,20,24)(H,21,26)(H,22,25)(H4,17,18,19)/t9-,10-,12-/m0/s1
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n/an/a 3.00E+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))
BDBM50318536
PNG
(CHEMBL1085606 | H2N-ARA-NH2)
Show SMILES C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C12H25N7O3/c1-6(13)10(21)19-8(4-3-5-17-12(15)16)11(22)18-7(2)9(14)20/h6-8H,3-5,13H2,1-2H3,(H2,14,20)(H,18,22)(H,19,21)(H4,15,16,17)/t6-,7-,8-/m0/s1
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n/an/a>3.00E+5n/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))
BDBM50318537
PNG
(CHEMBL1086083 | CHO-ARA-NH2)
Show SMILES C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC=O)C(N)=O
Show InChI InChI=1S/C13H25N7O4/c1-7(10(14)22)19-12(24)9(4-3-5-17-13(15)16)20-11(23)8(2)18-6-21/h6-9H,3-5H2,1-2H3,(H2,14,22)(H,18,21)(H,19,24)(H,20,23)(H4,15,16,17)/t7-,8-,9-/m0/s1
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n/an/a 1.49E+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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50029513
PNG
((S)-1-((4aS,8aS)-Decahydro-isoquinoline-3-carbonyl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h13-18,25H,1-12H2,(H,26,29)(H4,22,23,24)/t14-,15+,16-,17-,18-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029501
PNG
(5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)25-10-3-6-15(13-28)26-19(29)17-8-4-12-27(17)20(30)18-16-7-2-1-5-14(16)9-11-24-18/h13-18,24H,1-12H2,(H,26,29)(H4,22,23,25)/t14-,15-,16-,17-,18+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029513
PNG
((S)-1-((4aS,8aS)-Decahydro-isoquinoline-3-carbonyl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h13-18,25H,1-12H2,(H,26,29)(H4,22,23,24)/t14-,15+,16-,17-,18-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50029513
PNG
((S)-1-((4aS,8aS)-Decahydro-isoquinoline-3-carbonyl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h13-18,25H,1-12H2,(H,26,29)(H4,22,23,24)/t14-,15+,16-,17-,18-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Trypsin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50029501
PNG
(5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)25-10-3-6-15(13-28)26-19(29)17-8-4-12-27(17)20(30)18-16-7-2-1-5-14(16)9-11-24-18/h13-18,24H,1-12H2,(H,26,29)(H4,22,23,25)/t14-,15-,16-,17-,18+/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Trypsin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50029513
PNG
((S)-1-((4aS,8aS)-Decahydro-isoquinoline-3-carbonyl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h13-18,25H,1-12H2,(H,26,29)(H4,22,23,24)/t14-,15+,16-,17-,18-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Plasmin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50029501
PNG
(5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)25-10-3-6-15(13-28)26-19(29)17-8-4-12-27(17)20(30)18-16-7-2-1-5-14(16)9-11-24-18/h13-18,24H,1-12H2,(H,26,29)(H4,22,23,25)/t14-,15-,16-,17-,18+/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Coagulation factor X


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318538
PNG
(Ac-AR-(N-Me)A-NH2 | CHEMBL1084620)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(C)[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H29N7O4/c1-8(20-10(3)23)13(25)21-11(6-5-7-19-15(17)18)14(26)22(4)9(2)12(16)24/h8-9,11H,5-7H2,1-4H3,(H2,16,24)(H,20,23)(H,21,25)(H4,17,18,19)/t8-,9-,11-/m0/s1
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n/an/a>3.00E+5n/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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50029501
PNG
(5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)25-10-3-6-15(13-28)26-19(29)17-8-4-12-27(17)20(30)18-16-7-2-1-5-14(16)9-11-24-18/h13-18,24H,1-12H2,(H,26,29)(H4,22,23,25)/t14-,15-,16-,17-,18+/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50029501
PNG
(5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)25-10-3-6-15(13-28)26-19(29)17-8-4-12-27(17)20(30)18-16-7-2-1-5-14(16)9-11-24-18/h13-18,24H,1-12H2,(H,26,29)(H4,22,23,25)/t14-,15-,16-,17-,18+/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Plasmin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair