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PubMed code 26030312

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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 B


(Serratia marcescens)		BDBM50089857
PNG
(Argadin)
Show SMILES [H][C@@]12C[C@@H](O)N([C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CCCC(O)=O)C(=O)N[C@@H](CCCNC(=N)NC(C)=O)C(=O)N3CCC[C@]3([H])C(=O)N1)C2=O |r|
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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

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089847
PNG
(CHEMBL3577620)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=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]2C |r,@@:11|
Show InChI InChI=1S/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-/m1/s1
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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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(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 |r,t:3|
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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089854
PNG
(CHEMBL3577613)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=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]2C |r,@@:11|
Show InChI InChI=1S/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-/m1/s1
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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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089846
PNG
(CHEMBL3577621)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=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]2C |r,@@:11|
Show InChI InChI=1S/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-/m1/s1
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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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(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 |r,@:43|
Show InChI InChI=1S/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-/m1/s1
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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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089845
PNG
(CHEMBL3577622)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=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]2C |r,@@:11|
Show InChI InChI=1S/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-/m1/s1
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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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089853
PNG
(CHEMBL3577614)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OCc1cn(CCNC(=N)NC(=O)NC)nn1)[C@H](C)[C@@H](O)[C@](C)(O)C[C@H]2C |r,@@:11|
Show InChI InChI=1S/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-/m1/s1
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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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(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 |r,w:7.7|
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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(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 |r,w:7.7|
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

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089848
PNG
(CHEMBL3577619)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=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]2C |r,@@:11|
Show InChI InChI=1S/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-/m1/s1
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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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089855
PNG
(CHEMBL3577612)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OCc1cn(CCNC(=N)NC(=O)NC)nn1)[C@](C)(O)C[C@H]2C |r,@@:11|
Show InChI InChI=1S/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-/m1/s1
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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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50344942
PNG
(CHEMBL532 | E-MYCIN E | ERYTHROMYCIN | ERYTHROMYCI...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
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n/an/a>3.00E+5n/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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089850
PNG
(CHEMBL3577617)
Show SMILES CNC(=O)NC(=N)n1cccn1
Show InChI InChI=1S/C6H9N5O/c1-8-6(12)10-5(7)11-4-2-3-9-11/h2-4H,1H3,(H3,7,8,10,12)
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n/an/a>3.00E+5n/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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089852
PNG
(CHEMBL3577615)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@H]2C |r,@@:11|
Show InChI InChI=1S/C25H46O7/c1-11-17-23(6,7)21-16(5)19(31-24(8,9)32-21)13(2)12-25(10,29)20(27)14(3)18(26)15(4)22(28)30-17/h13-21,26-27,29H,11-12H2,1-10H3/t13-,14+,15-,16+,17-,18+,19+,20-,21-,25-/m1/s1
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n/an/a>3.00E+5n/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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089849
PNG
(CHEMBL3577618)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11|
Show InChI InChI=1S/C28H48O7/c1-12-14-32-24-17(4)21(29)18(5)25(30)33-20(13-2)26(7,8)23-19(6)22(34-27(9,10)35-23)16(3)15-28(24,11)31/h1,16-24,29,31H,13-15H2,2-11H3/t16-,17+,18-,19+,20-,21+,22+,23-,24-,28-/m1/s1
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n/an/a>3.00E+5n/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...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%