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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with Target = 'Chitinase' AND taxid = 615   
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
Chitinase


(Serratia marcescens)
BDBM10854
PNG
(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O
Show InChI InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1
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20 -45.7n/an/an/an/an/a5.537



University of Dundee



Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM10853
PNG
((2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(...)
Show SMILES CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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3.30E+4 -26.6n/an/an/an/an/a5.537



University of Dundee



Assay Description
The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM10854
PNG
(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)
Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O
Show InChI InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase A


(Serratia marcescens)
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA


Citation and Details
More data for this
Ligand-Target Pair
Chitinase A


(Serratia marcescens)
BDBM50257241
PNG
(CHEMBL506684 | N-Ac-D-Ala-Arg{N-omega-(N-methylcar...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O
Show InChI InChI=1S/C30H44N8O9/c1-6-15-47-24(40)17-22(28(44)45)36-26(42)23(16-20-11-8-7-9-12-20)38(5)27(43)21(35-25(41)18(2)34-19(3)39)13-10-14-33-29(31)37-30(46)32-4/h6-9,11-12,18,21-23H,1,10,13-17H2,2-5H3,(H,34,39)(H,35,41)(H,36,42)(H,44,45)(H4,31,32,33,37,46)/t18-,21+,22+,23+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089857
PNG
(ARGADIN | Argadin)
Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2c[nH]cn2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O
Show InChI InChI=1/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/s2
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n/an/a 33n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089847
PNG
(CHEMBL3577620)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C
Show InChI InChI=1/C35H61N5O9/c1-13-18-45-28-22(5)26(47-32(43)39-17-15-16-38-30(36)40-31(42)37-12)23(6)29(41)46-24(14-2)33(7,8)27-21(4)25(48-34(9,10)49-27)20(3)19-35(28,11)44/h1,20-28,44H,14-19H2,2-12H3,(H,39,43)(H4,36,37,38,40,42)/t20-,21+,22+,23-,24-,25+,26+,27-,28-,35-/s2
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n/an/a 36n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase A


(Serratia marcescens)
BDBM50257244
PNG
(CHEMBL522670 | N-Ac-D-Ala-Arg{N-omega-(N-methylcar...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H35N7O6/c1-14(27-15(2)31)19(32)28-17(11-8-12-26-22(24)29-23(36)25-3)20(33)30(4)18(21(34)35)13-16-9-6-5-7-10-16/h5-7,9-10,14,17-18H,8,11-13H2,1-4H3,(H,27,31)(H,28,32)(H,34,35)(H4,24,25,26,29,36)/t14-,17+,18+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50331851
PNG
(Allosamidin | CHEMBL1230997)
Show SMILES CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1
Show InChI InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50257241
PNG
(CHEMBL506684 | N-Ac-D-Ala-Arg{N-omega-(N-methylcar...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O
Show InChI InChI=1S/C30H44N8O9/c1-6-15-47-24(40)17-22(28(44)45)36-26(42)23(16-20-11-8-7-9-12-20)38(5)27(43)21(35-25(41)18(2)34-19(3)39)13-10-14-33-29(31)37-30(46)32-4/h6-9,11-12,18,21-23H,1,10,13-17H2,2-5H3,(H,34,39)(H,35,41)(H,36,42)(H,44,45)(H4,31,32,33,37,46)/t18-,21+,22+,23+/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiB


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50257240
PNG
(CHEMBL450552 | N-Ac-Arg{N-omega-(N-methylcarbanoyl...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O
Show InChI InChI=1S/C27H39N7O8/c1-5-14-42-22(36)16-20(25(39)40)32-23(37)21(15-18-10-7-6-8-11-18)34(4)24(38)19(31-17(2)35)12-9-13-30-26(28)33-27(41)29-3/h5-8,10-11,19-21H,1,9,12-16H2,2-4H3,(H,31,35)(H,32,37)(H,39,40)(H4,28,29,30,33,41)/t19-,20-,21-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiB


Citation and Details
More data for this
Ligand-Target Pair
Chitinase A


(Serratia marcescens)
BDBM50257240
PNG
(CHEMBL450552 | N-Ac-Arg{N-omega-(N-methylcarbanoyl...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O
Show InChI InChI=1S/C27H39N7O8/c1-5-14-42-22(36)16-20(25(39)40)32-23(37)21(15-18-10-7-6-8-11-18)34(4)24(38)19(31-17(2)35)12-9-13-30-26(28)33-27(41)29-3/h5-8,10-11,19-21H,1,9,12-16H2,2-4H3,(H,31,35)(H,32,37)(H,39,40)(H4,28,29,30,33,41)/t19-,20-,21-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089854
PNG
(CHEMBL3577613)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C
Show InChI InChI=1/C36H63N5O9/c1-13-19-46-29-23(5)27(48-33(44)40-18-16-15-17-39-31(37)41-32(43)38-12)24(6)30(42)47-25(14-2)34(7,8)28-22(4)26(49-35(9,10)50-28)21(3)20-36(29,11)45/h1,21-29,45H,14-20H2,2-12H3,(H,40,44)(H4,37,38,39,41,43)/t21-,22+,23+,24-,25-,26+,27+,28-,29-,36-/s2
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n/an/a 217n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50294763
PNG
((2R,5S,8S,11S,15S)-8-benzyl-15-(4-benzylpiperidine...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C44H62N10O9/c1-27(2)22-32-38(57)50-31(16-11-19-47-43(45)52-44(63)46-3)40(59)53(4)35(24-29-14-9-6-10-15-29)39(58)51-34(42(61)62)26-37(56)49-33(25-36(55)48-32)41(60)54-20-17-30(18-21-54)23-28-12-7-5-8-13-28/h5-10,12-15,27,30-35H,11,16-26H2,1-4H3,(H,48,55)(H,49,56)(H,50,57)(H,51,58)(H,61,62)(H4,45,46,47,52,63)/t31-,32+,33-,34-,35-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089846
PNG
(CHEMBL3577621)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C
Show InChI InChI=1/C37H65N5O9/c1-13-20-47-30-24(5)28(49-34(45)41-19-17-15-16-18-40-32(38)42-33(44)39-12)25(6)31(43)48-26(14-2)35(7,8)29-23(4)27(50-36(9,10)51-29)22(3)21-37(30,11)46/h1,22-30,46H,14-21H2,2-12H3,(H,41,45)(H4,38,39,40,42,44)/t22-,23+,24+,25-,26-,27+,28+,29-,30-,37-/s2
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n/an/a 374n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase A


(Serratia marcescens)
BDBM50257243
PNG
((2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)c...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50257242
PNG
(CHEMBL454279 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methy...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O
Show InChI InChI=1S/C34H49N9O12/c1-6-15-55-27(47)18-24(32(52)53)41-30(50)25(16-21-11-8-7-9-12-21)43(5)31(51)22(13-10-14-37-33(35)42-34(54)36-4)40-28(48)19(2)38-29(49)23(17-26(45)46)39-20(3)44/h6-9,11-12,19,22-25H,1,10,13-18H2,2-5H3,(H,38,49)(H,39,44)(H,40,48)(H,41,50)(H,45,46)(H,52,53)(H4,35,36,37,42,54)/t19-,22+,23+,24+,25+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiB


Citation and Details
More data for this
Ligand-Target Pair
Chitinase A


(Serratia marcescens)
BDBM50257242
PNG
(CHEMBL454279 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methy...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O
Show InChI InChI=1S/C34H49N9O12/c1-6-15-55-27(47)18-24(32(52)53)41-30(50)25(16-21-11-8-7-9-12-21)43(5)31(51)22(13-10-14-37-33(35)42-34(54)36-4)40-28(48)19(2)38-29(49)23(17-26(45)46)39-20(3)44/h6-9,11-12,19,22-25H,1,10,13-18H2,2-5H3,(H,38,49)(H,39,44)(H,40,48)(H,41,50)(H,45,46)(H,52,53)(H4,35,36,37,42,54)/t19-,22+,23+,24+,25+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50294757
PNG
((2R,5S,8S,11S,15S)-8-benzyl-15-(4-benzylpiperidine...)
Show SMILES CNC(=O)NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C([O-])=O)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C41H56N10O9/c1-25-35(54)47-29(15-10-18-44-40(42)49-41(60)43-2)37(56)50(3)32(22-27-13-8-5-9-14-27)36(55)48-31(39(58)59)24-34(53)46-30(23-33(52)45-25)38(57)51-19-16-28(17-20-51)21-26-11-6-4-7-12-26/h4-9,11-14,25,28-32H,10,15-24H2,1-3H3,(H,45,52)(H,46,53)(H,47,54)(H,48,55)(H,58,59)(H4,42,43,44,49,60)/t25-,29+,30+,31+,32+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089844
PNG
(CHEMBL3577623)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)C1(C)C
Show InChI InChI=1/C32H57N5O9/c1-11-16-44-26-20(5)24(46-30(42)36-15-13-14-35-28(33)37-29(41)34-10)21(6)27(40)45-22(12-2)31(7,8)25(39)19(4)23(38)18(3)17-32(26,9)43/h1,18-26,38-39,43H,12-17H2,2-10H3,(H,36,42)(H4,33,34,35,37,41)/t18-,19+,20+,21-,22-,23+,24+,25-,26-,32-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089845
PNG
(CHEMBL3577622)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C
Show InChI InChI=1/C39H69N5O9/c1-13-22-49-32-26(5)30(51-36(47)43-21-19-17-15-16-18-20-42-34(40)44-35(46)41-12)27(6)33(45)50-28(14-2)37(7,8)31-25(4)29(52-38(9,10)53-31)24(3)23-39(32,11)48/h1,24-32,48H,14-23H2,2-12H3,(H,43,47)(H4,40,41,42,44,46)/t24-,25+,26+,27-,28-,29+,30+,31-,32-,39-/s2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50294759
PNG
((2R,5S,8S,11S,15S)-8-benzyl-15-carboxy-5-(3-(imini...)
Show SMILES CNC(=O)NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C([O-])=O)C(O)=O
Show InChI InChI=1S/C32H47N9O10/c1-17(2)13-20-26(44)38-19(11-8-12-35-31(33)40-32(51)34-3)28(46)41(4)23(14-18-9-6-5-7-10-18)27(45)39-22(30(49)50)16-25(43)37-21(29(47)48)15-24(42)36-20/h5-7,9-10,17,19-23H,8,11-16H2,1-4H3,(H,36,42)(H,37,43)(H,38,44)(H,39,45)(H,47,48)(H,49,50)(H4,33,34,35,40,51)/t19-,20+,21-,22-,23-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50257244
PNG
(CHEMBL522670 | N-Ac-D-Ala-Arg{N-omega-(N-methylcar...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H35N7O6/c1-14(27-15(2)31)19(32)28-17(11-8-12-26-22(24)29-23(36)25-3)20(33)30(4)18(21(34)35)13-16-9-6-5-7-10-16/h5-7,9-10,14,17-18H,8,11-13H2,1-4H3,(H,27,31)(H,28,32)(H,34,35)(H4,24,25,26,29,36)/t14-,17+,18+/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiB


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089853
PNG
(CHEMBL3577614)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OCc2cn(CCNC(=N)NC(=O)NC)nn2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C
Show InChI InChI=1/C33H59N7O8/c1-12-23-31(6,7)27-20(4)24(47-32(8,9)48-27)18(2)15-33(10,44)26(41)19(3)25(21(5)28(42)46-23)45-17-22-16-40(39-38-22)14-13-36-29(34)37-30(43)35-11/h16,18-21,23-27,41,44H,12-15,17H2,1-11H3,(H4,34,35,36,37,43)/t18-,19+,20+,21-,23-,24+,25+,26-,27-,33-/s2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50257243
PNG
((2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)c...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50257243
PNG
((2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)c...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiB


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50294762
PNG
((2R,5S,8S,11S,15S)-2-((1H-indol-3-yl)methyl)-8-ben...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C37H46N10O10/c1-39-37(57)46-36(38)40-14-8-13-24-33(52)47(2)28(15-20-9-4-3-5-10-20)32(51)45-27(35(55)56)18-30(49)43-26(34(53)54)17-29(48)42-25(31(50)44-24)16-21-19-41-23-12-7-6-11-22(21)23/h3-7,9-12,19,24-28,41H,8,13-18H2,1-2H3,(H,42,48)(H,43,49)(H,44,50)(H,45,51)(H,53,54)(H,55,56)(H4,38,39,40,46,57)/t24-,25+,26-,27-,28-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50294758
PNG
((2R,5S,8S,11S,15S)-8-benzyl-15-carboxy-5-(3-(imini...)
Show SMILES CNC(=O)NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@H](NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C([O-])=O)C(O)=O)C(C)C
Show InChI InChI=1S/C31H45N9O10/c1-16(2)24-26(44)36-18(11-8-12-34-30(32)39-31(50)33-3)27(45)40(4)21(13-17-9-6-5-7-10-17)25(43)37-20(29(48)49)15-22(41)35-19(28(46)47)14-23(42)38-24/h5-7,9-10,16,18-21,24H,8,11-15H2,1-4H3,(H,35,41)(H,36,44)(H,37,43)(H,38,42)(H,46,47)(H,48,49)(H4,32,33,34,39,50)/t18-,19-,20-,21-,24+/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiB


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50173286
PNG
(5-[3-[amino-(methylcarbamoylamino)methylidene]amin...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase A


(Serratia marcescens)
BDBM50257292
PNG
(CHEMBL492713 | N-Ac-D-Ala-Arg{N-omega-(N-methylcar...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C13H24N6O5/c1-7(17-8(2)20)10(21)18-9(11(22)23)5-4-6-16-12(14)19-13(24)15-3/h7,9H,4-6H2,1-3H3,(H,17,20)(H,18,21)(H,22,23)(H4,14,15,16,19,24)/t7-,9+/m1/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089851
PNG
(CHEMBL3577616)
Show SMILES CNC(=O)NC(=N)NCCN=[N+]=[N-]
Show InChI InChI=1S/C5H11N7O/c1-8-5(13)11-4(6)9-2-3-10-12-7/h2-3H2,1H3,(H4,6,8,9,11,13)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089848
PNG
(CHEMBL3577619)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C
Show InChI InChI=1/C34H59N5O9/c1-13-17-44-27-21(5)25(46-31(42)38-16-15-37-29(35)39-30(41)36-12)22(6)28(40)45-23(14-2)32(7,8)26-20(4)24(47-33(9,10)48-26)19(3)18-34(27,11)43/h1,19-27,43H,14-18H2,2-12H3,(H,38,42)(H4,35,36,37,39,41)/t19-,20+,21+,22-,23-,24+,25+,26-,27-,34-/s2
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n/an/a 8.30E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase A


(Serratia marcescens)
BDBM50257245
PNG
(CHEMBL449892 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methy...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H40N8O9/c1-15(31-23(40)19(14-21(37)38)32-16(2)36)22(39)33-18(11-8-12-30-26(28)34-27(44)29-3)24(41)35(4)20(25(42)43)13-17-9-6-5-7-10-17/h5-7,9-10,15,18-20H,8,11-14H2,1-4H3,(H,31,40)(H,32,36)(H,33,39)(H,37,38)(H,42,43)(H4,28,29,30,34,44)/t15-,18+,19+,20+/m1/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50294761
PNG
((2R,5S,8S,11S,15S)-2,8-dibenzyl-15-carboxy-5-(3-(i...)
Show SMILES CNC(=O)NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C([O-])=O)C(O)=O
Show InChI InChI=1S/C35H45N9O10/c1-37-35(54)43-34(36)38-15-9-14-22-31(49)44(2)26(17-21-12-7-4-8-13-21)30(48)42-25(33(52)53)19-28(46)40-24(32(50)51)18-27(45)39-23(29(47)41-22)16-20-10-5-3-6-11-20/h3-8,10-13,22-26H,9,14-19H2,1-2H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)(H,50,51)(H,52,53)(H4,36,37,38,43,54)/t22-,23+,24-,25-,26-/m0/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50294760
PNG
((2R,5S,8S,11S,15S)-8-benzyl-15-carboxy-5-(3-(imini...)
Show SMILES CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](CCSC)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H45N9O10S/c1-33-31(50)39-30(32)34-12-7-10-19-27(45)40(2)22(14-17-8-5-4-6-9-17)26(44)38-21(29(48)49)16-24(42)36-20(28(46)47)15-23(41)35-18(11-13-51-3)25(43)37-19/h4-6,8-9,18-22H,7,10-16H2,1-3H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)(H,46,47)(H,48,49)(H4,32,33,34,39,50)/t18-,19+,20+,21+,22+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089855
PNG
(CHEMBL3577612)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OCc2cn(CCNC(=N)NC(=O)NC)nn2)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C
Show InChI InChI=1/C33H59N7O8/c1-12-23-31(6,7)26-21(5)25(47-32(8,9)48-26)18(2)15-33(10,44)27(19(3)24(41)20(4)28(42)46-23)45-17-22-16-40(39-38-22)14-13-36-29(34)37-30(43)35-11/h16,18-21,23-27,41,44H,12-15,17H2,1-11H3,(H4,34,35,36,37,43)/t18-,19+,20-,21+,23-,24+,25+,26-,27-,33-/s2
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n/an/a 1.19E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Serratia marcescens)
BDBM50089856
PNG
(CHEMBL3577611)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)\C(=N/OCc2cn(CCNC(=N)NC(=O)NC)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1/C29H52N8O9/c1-9-20-29(7,44)24(40)16(3)21(15(2)12-28(6,43)23(39)17(4)22(38)18(5)25(41)46-20)35-45-14-19-13-37(36-34-19)11-10-32-26(30)33-27(42)31-8/h13,15-18,20,22-24,38-40,43-44H,9-12,14H2,1-8H3,(H4,30,31,32,33,42)/b35-21+/t15-,16+,17+,18-,20-,22+,23-,24-,28-,29-/s2
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n/an/a 2.41E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase C1


(Serratia marcescens)
BDBM50257245
PNG
(CHEMBL449892 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methy...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H40N8O9/c1-15(31-23(40)19(14-21(37)38)32-16(2)36)22(39)33-18(11-8-12-30-26(28)34-27(44)29-3)24(41)35(4)20(25(42)43)13-17-9-6-5-7-10-17/h5-7,9-10,15,18-20H,8,11-14H2,1-4H3,(H,31,40)(H,32,36)(H,33,39)(H,37,38)(H,42,43)(H4,28,29,30,34,44)/t15-,18+,19+,20+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC


Citation and Details
More data for this
Ligand-Target Pair
Chitinase C1


(Serratia marcescens)
BDBM50257240
PNG
(CHEMBL450552 | N-Ac-Arg{N-omega-(N-methylcarbanoyl...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O
Show InChI InChI=1S/C27H39N7O8/c1-5-14-42-22(36)16-20(25(39)40)32-23(37)21(15-18-10-7-6-8-11-18)34(4)24(38)19(31-17(2)35)12-9-13-30-26(28)33-27(41)29-3/h5-8,10-11,19-21H,1,9,12-16H2,2-4H3,(H,31,35)(H,32,37)(H,39,40)(H4,28,29,30,33,41)/t19-,20-,21-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC


Citation and Details
More data for this
Ligand-Target Pair
Chitinase C1


(Serratia marcescens)
BDBM50257241
PNG
(CHEMBL506684 | N-Ac-D-Ala-Arg{N-omega-(N-methylcar...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O
Show InChI InChI=1S/C30H44N8O9/c1-6-15-47-24(40)17-22(28(44)45)36-26(42)23(16-20-11-8-7-9-12-20)38(5)27(43)21(35-25(41)18(2)34-19(3)39)13-10-14-33-29(31)37-30(46)32-4/h6-9,11-12,18,21-23H,1,10,13-17H2,2-5H3,(H,34,39)(H,35,41)(H,36,42)(H,44,45)(H4,31,32,33,37,46)/t18-,21+,22+,23+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC


Citation and Details
More data for this
Ligand-Target Pair
Chitinase C1


(Serratia marcescens)
BDBM50257242
PNG
(CHEMBL454279 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methy...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O
Show InChI InChI=1S/C34H49N9O12/c1-6-15-55-27(47)18-24(32(52)53)41-30(50)25(16-21-11-8-7-9-12-21)43(5)31(51)22(13-10-14-37-33(35)42-34(54)36-4)40-28(48)19(2)38-29(49)23(17-26(45)46)39-20(3)44/h6-9,11-12,19,22-25H,1,10,13-18H2,2-5H3,(H,38,49)(H,39,44)(H,40,48)(H,41,50)(H,45,46)(H,52,53)(H4,35,36,37,42,54)/t19-,22+,23+,24+,25+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC


Citation and Details
More data for this
Ligand-Target Pair
Chitinase C1


(Serratia marcescens)
BDBM50257244
PNG
(CHEMBL522670 | N-Ac-D-Ala-Arg{N-omega-(N-methylcar...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H35N7O6/c1-14(27-15(2)31)19(32)28-17(11-8-12-26-22(24)29-23(36)25-3)20(33)30(4)18(21(34)35)13-16-9-6-5-7-10-16/h5-7,9-10,14,17-18H,8,11-13H2,1-4H3,(H,27,31)(H,28,32)(H,34,35)(H4,24,25,26,29,36)/t14-,17+,18+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC


Citation and Details
More data for this
Ligand-Target Pair
Chitinase C1


(Serratia marcescens)
BDBM50257243
PNG
((2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)c...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC


Citation and Details
More data for this
Ligand-Target Pair
Chitinase C1


(Serratia marcescens)
BDBM50257246
PNG
(CHEMBL443088 | N-Ac-Arg{N-omega-(N-methylcarbanoyl...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(O)=O
Show InChI InChI=1S/C10H19N5O4/c1-6(16)14-7(8(17)18)4-3-5-13-9(11)15-10(19)12-2/h7H,3-5H2,1-2H3,(H,14,16)(H,17,18)(H4,11,12,13,15,19)/t7-/m0/s1
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC


Citation and Details
More data for this
Ligand-Target Pair
Chitinase C1


(Serratia marcescens)
BDBM50257292
PNG
(CHEMBL492713 | N-Ac-D-Ala-Arg{N-omega-(N-methylcar...)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C13H24N6O5/c1-7(17-8(2)20)10(21)18-9(11(22)23)5-4-6-16-12(14)19-13(24)15-3/h7,9H,4-6H2,1-3H3,(H,17,20)(H,18,21)(H,22,23)(H4,14,15,16,19,24)/t7-,9+/m1/s1
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC


Citation and Details
More data for this
Ligand-Target Pair
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