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Compile Data Set for Download or QSAR

Found 2 hits of kd for UniProtKB: P11797   
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
Chitinase B


(Serratia marcescens)		BDBM50514507
PNG
(CHEMBL1583158)
Show SMILES Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 190n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Serratia marcescens chitinase b catalytic domain overexpressed in Escherichia coli BL21(DE3) cells by isothermal titration calori...

J Med Chem 63: 987-1001 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01154
BindingDB Entry DOI: 10.7270/Q2N019W8
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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UniProtKB/SwissProt

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CHEMBL
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PC cid
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UniChem

Similars
Article
PubMed
n/an/an/a 3.30E+4n/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase B

Bioorg Med Chem 18: 5835-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.093
BindingDB Entry DOI: 10.7270/Q2FQ9WTT
More data for this
Ligand-Target Pair