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Compile Data Set for Download or QSAR

Found 616 hits Enz. Inhib. hit(s) with Target = 'Cell division control protein 42 homolog'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50319716
PNG
((3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES Clc1ccc(cc1)[C@@H]1CNC[C@H]1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)/t15-,16+/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDC42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50319634
PNG
(CHEMBL1084892 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c1-20-16(11-5-3-2-4-6-11)18(24)22-15-9-12-7-8-21-17(23)13(12)10-14(15)19/h2-10,16,20H,1H3,(H,21,23)(H,22,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50300554
PNG
(((2S,3R,4S,5S)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50319633
PNG
(2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308897
PNG
(3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(2-piperidin...)
Show SMILES O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C23H27N5O2/c24-14-17-6-8-21(9-7-17)28-23(30)27-16-19-3-1-5-20(13-19)22(29)26-12-10-18-4-2-11-25-15-18/h1,3,5-9,13,18,25H,2,4,10-12,15-16H2,(H,26,29)(H2,27,28,30)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308871
PNG
(CHEMBL599792 | N-[3-(4-Dimethylaminomethyl-phenylc...)
Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
Show InChI InChI=1S/C26H29N3O4/c1-29(2)17-18-8-11-22(12-9-18)28-26(31)20-7-5-6-19(14-20)16-27-25(30)21-10-13-23(32-3)24(15-21)33-4/h5-15H,16-17H2,1-4H3,(H,27,30)(H,28,31)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308900
PNG
(3,4-Dimethoxy-N-[3-(3-piperidin-3-yl-propionylamin...)
Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1
Show InChI InChI=1S/C24H31N3O4/c1-30-21-10-9-19(14-22(21)31-2)24(29)26-16-18-5-3-7-20(13-18)27-23(28)11-8-17-6-4-12-25-15-17/h3,5,7,9-10,13-14,17,25H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308866
PNG
(3-Chloro-N-[3-(4-dimethylaminomethyl-phenylcarbamo...)
Show SMILES COc1ccc(cc1Cl)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
Show InChI InChI=1S/C25H26ClN3O3/c1-29(2)16-17-7-10-21(11-8-17)28-25(31)19-6-4-5-18(13-19)15-27-24(30)20-9-12-23(32-3)22(26)14-20/h4-14H,15-16H2,1-3H3,(H,27,30)(H,28,31)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308894
PNG
(3-[3-(3-Cyano-phenyl)-ureidomethyl]-N-(2-piperidin...)
Show SMILES O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C23H27N5O2/c24-14-18-4-2-8-21(13-18)28-23(30)27-16-19-5-1-7-20(12-19)22(29)26-11-9-17-6-3-10-25-15-17/h1-2,4-5,7-8,12-13,17,25H,3,6,9-11,15-16H2,(H,26,29)(H2,27,28,30)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308898
PNG
(3-[3-(4-Amido-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...)
Show SMILES NC(=O)c1ccc(NC(=O)NCc2cccc(c2)C(=O)Nc2ccc3CCNCc3c2)cc1
Show InChI InChI=1S/C25H25N5O3/c26-23(31)18-5-7-21(8-6-18)30-25(33)28-14-16-2-1-3-19(12-16)24(32)29-22-9-4-17-10-11-27-15-20(17)13-22/h1-9,12-13,27H,10-11,14-15H2,(H2,26,31)(H,29,32)(H2,28,30,33)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308862
PNG
(3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...)
Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C25H23N5O2/c26-14-17-4-7-22(8-5-17)30-25(32)28-15-18-2-1-3-20(12-18)24(31)29-23-9-6-19-10-11-27-16-21(19)13-23/h1-9,12-13,27H,10-11,15-16H2,(H,29,31)(H2,28,30,32)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308861
PNG
(3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(4-dimethyla...)
Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C#N)c2)cc1
Show InChI InChI=1S/C25H25N5O2/c1-30(2)17-19-8-12-22(13-9-19)28-24(31)21-5-3-4-20(14-21)16-27-25(32)29-23-10-6-18(15-26)7-11-23/h3-14H,16-17H2,1-2H3,(H,28,31)(H2,27,29,32)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308875
PNG
(3,4-Dimethoxy-N-[3-(2-methyl-1,2,3,4-tetrahydro-is...)
Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1
Show InChI InChI=1S/C27H29N3O4/c1-30-12-11-19-7-9-23(14-22(19)17-30)29-27(32)20-6-4-5-18(13-20)16-28-26(31)21-8-10-24(33-2)25(15-21)34-3/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,28,31)(H,29,32)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308876
PNG
(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)
Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C26H27N3O4/c1-32-23-9-7-20(14-24(23)33-2)25(30)28-15-17-4-3-5-19(12-17)26(31)29-22-8-6-18-10-11-27-16-21(18)13-22/h3-9,12-14,27H,10-11,15-16H2,1-2H3,(H,28,30)(H,29,31)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308872
PNG
(3,4-Dimethoxy-N-[3-(2-piperidin-3-yl-ethylcarbamoy...)
Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCCNC1
Show InChI InChI=1S/C24H31N3O4/c1-30-21-9-8-20(14-22(21)31-2)24(29)27-16-18-5-3-7-19(13-18)23(28)26-12-10-17-6-4-11-25-15-17/h3,5,7-9,13-14,17,25H,4,6,10-12,15-16H2,1-2H3,(H,26,28)(H,27,29)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50308877
PNG
(3,4-Dimethoxy-N-[3-(2-piperidin-4-yl-ethylcarbamoy...)
Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCNCC1
Show InChI InChI=1S/C24H31N3O4/c1-30-21-7-6-20(15-22(21)31-2)24(29)27-16-18-4-3-5-19(14-18)23(28)26-13-10-17-8-11-25-12-9-17/h3-7,14-15,17,25H,8-13,16H2,1-2H3,(H,26,28)(H,27,29)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50300547
PNG
(2,3,9,10-Tetrahydroxy-5,6-dihydro-isoquino[3,2-a]i...)
Show SMILES Oc1cc2CCn3cc4c(ccc(O)c4=[OH+])cc3-c2cc1O
Show InChI InChI=1S/C17H13NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,5-8,19-21H,3-4H2/p+1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50324673
PNG
(CHEMBL1222039 | Secramine B)
Show SMILES CO\N=C1/C[C@H]2Oc3c4c(CN[C@H](CO)C[C@]24[C@@H](C1)SCc1ccc(OC)cc1)cc(OCC1CC1)c3Br
Show InChI InChI=1S/C29H35BrN2O5S/c1-34-22-7-5-18(6-8-22)16-38-25-11-20(32-35-2)10-24-29(25)12-21(14-33)31-13-19-9-23(36-15-17-3-4-17)27(30)28(37-24)26(19)29/h5-9,17,21,24-25,31,33H,3-4,10-16H2,1-2H3/b32-20+/t21-,24+,25+,29+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of GEF-independent nucleotide exchange activity of prenylated Cdc42 after 3 mins in presence of 4 mM Mg2+ chelator EDTA


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50319637
PNG
(2-(benzylamino)-N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-9-14-13(6-7-21-18(14)24)8-16(15)22-17(23)11-20-10-12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,21,24)(H,22,23)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50319635
PNG
(CHEMBL1084106 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1
Show InChI InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50319636
PNG
(CHEMBL1084107 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a>8.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a>8.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50324672
PNG
(CHEMBL1222038 | Secramine A)
Show SMILES COc1ccc(CS[C@@H]2C\C(C[C@H]3Oc4c5c(CN[C@H](CO)C[C@]235)cc(OCC2CC2)c4Br)=N\OCc2ccccc2)cc1
Show InChI InChI=1S/C35H39BrN2O5S/c1-40-28-11-9-24(10-12-28)21-44-31-15-26(38-42-20-22-5-3-2-4-6-22)14-30-35(31)16-27(18-39)37-17-25-13-29(41-19-23-7-8-23)33(36)34(43-30)32(25)35/h2-6,9-13,23,27,30-31,37,39H,7-8,14-21H2,1H3/b38-26+/t27-,30+,31+,35+/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of GEF-independent nucleotide exchange activity of prenylated Cdc42 after 3 mins in presence of 4 mM Mg2+ chelator EDTA


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50300551
PNG
(2,3,7,8-Tetrahydroxy-5-methyl-benzo[c]phenanthridi...)
Show SMILES Cn1cc2c(ccc(O)c2=[OH+])c2ccc3cc(O)c(O)cc3c12
Show InChI InChI=1S/C18H13NO4/c1-19-8-13-10(4-5-14(20)18(13)23)11-3-2-9-6-15(21)16(22)7-12(9)17(11)19/h2-8,20-22H,1H3/p+1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50300548
PNG
(3,4,10,11-Tetrahydroxy-8-methyl-isoquino[3,2-a]iso...)
Show SMILES Cc1c2cc(O)c(O)cc2cc2c3ccc(O)c(O)c3cc[n+]12
Show InChI InChI=1S/C18H13NO4/c1-9-13-8-17(22)16(21)7-10(13)6-14-11-2-3-15(20)18(23)12(11)4-5-19(9)14/h2-8H,1H3,(H3,20,21,22,23)/p+1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50300552
PNG
(2,3-Dihydroxy-7,8-dimethoxy-5-methyl-benzo[c]phena...)
Show SMILES COc1ccc2c(cn(C)c3c4cc(O)c(=[OH+])cc4ccc23)c1OC
Show InChI InChI=1S/C20H17NO4/c1-21-10-15-12(6-7-18(24-2)20(15)25-3)13-5-4-11-8-16(22)17(23)9-14(11)19(13)21/h4-10,23H,1-3H3/p+1
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n/an/a 7.30E+4n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50300546
PNG
(6,7-Dimethoxy-1-methyl-3-naphthalen-2-yl-isoquinol...)
Show SMILES COc1cc2cc(nc(C)c2cc1OC)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H19NO2/c1-14-19-13-22(25-3)21(24-2)12-18(19)11-20(23-14)17-9-8-15-6-4-5-7-16(15)10-17/h4-13H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50300545
PNG
(CHEMBL573174 | tetrahydroxycanadine hydrochloride)
Show SMILES Oc1ccc2CC3N(CCc4cc(O)c(O)cc34)Cc2c1O
Show InChI InChI=1S/C17H17NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,6-7,13,19-22H,3-5,8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50300550
PNG
(3-(3,4-Dihydroxy-phenyl)-6,7-dimethoxy-1-methyl-is...)
Show SMILES COc1cc2cc(nc(C)c2cc1OC)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H17NO4/c1-10-13-9-18(23-3)17(22-2)8-12(13)6-14(19-10)11-4-5-15(20)16(21)7-11/h4-9,20-21H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM25524
PNG
(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens)
BDBM50300549
PNG
(2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...)
Show SMILES COc1ccc2cc3-c4cc(O)c(O)cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54607
PNG
(4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimet...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3
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10n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54674
PNG
(3-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(c1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/c1-28-19-12-10-17(11-13-19)22-15-21(16-6-3-2-4-7-16)24-25(22)18-8-5-9-20(14-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
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10n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM50218889
PNG
(7-chloroindirubin | CHEMBL243777 | cid_11847137)
Show SMILES Clc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,18H,(H,19,21)
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10n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54577
PNG
(1-[4-(4-chlorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H23ClN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3
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20n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54605
PNG
(1-[4-(difluoromethylsulfonyl)phenyl]-3,5-diphenyl-...)
Show SMILES FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18F2N2O2S/c23-22(24)29(27,28)19-13-11-18(12-14-19)26-21(17-9-5-2-6-10-17)15-20(25-26)16-7-3-1-4-8-16/h1-14,21-22H,15H2
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50n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54553
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3
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80n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54591
PNG
(3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazo...)
Show SMILES COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)23-24(21)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
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90n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54549
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-(3-phen...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-17-8-9-18(2)20(16-17)26-12-14-27(15-13-26)22(28)11-10-21-24-23(25-29-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3
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100n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54553
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3
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100n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54570
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N4O4/c1-29-19-7-3-17(4-8-19)23-24-21(31-25-23)11-12-22(28)27-15-13-26(14-16-27)18-5-9-20(30-2)10-6-18/h3-10H,11-16H2,1-2H3
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100n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54544
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1
Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
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110n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54570
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N4O4/c1-29-19-7-3-17(4-8-19)23-24-21(31-25-23)11-12-22(28)27-15-13-26(14-16-27)18-5-9-20(30-2)10-6-18/h3-10H,11-16H2,1-2H3
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110n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54548
PNG
(3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(C)cc2)n1
Show InChI InChI=1S/C23H26N4O3/c1-17-3-7-19(8-4-17)26-13-15-27(16-14-26)22(28)12-11-21-24-23(25-30-21)18-5-9-20(29-2)10-6-18/h3-10H,11-16H2,1-2H3
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120n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54571
PNG
(1-[4-(4-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(F)cc2)n1
Show InChI InChI=1S/C22H23FN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3
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140n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


Citation and Details
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54578
PNG
(1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1
Show InChI InChI=1S/C22H23FN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3
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140n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
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