BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 216 hits with Last Name = 'kang' and Initial = 'js'   
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
Beta-lactamase 2


(Homo sapiens (Human))
BDBM50174303
PNG
(CHEMBL3809419)
Show SMILES OC(=O)[C@H](S)c1ccccc1
Show InChI InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10)/t7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
90n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus cereus 569/H/9 metallo-beta-lactamase Bc2 expressed in Escherichia coli GI724 cells using nitrocefin as substrate ...


ACS Med Chem Lett 7: 413-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00495
BindingDB Entry DOI: 10.7270/Q2GQ70PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50092976
PNG
(CHEMBL3586478)
Show SMILES CSCC[C@H](NC(=O)Cc1cccs1)C(=O)SCC(O)=O
Show InChI InChI=1S/C13H17NO4S3/c1-19-6-4-10(13(18)21-8-12(16)17)14-11(15)7-9-3-2-5-20-9/h2-3,5,10H,4,6-8H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50092982
PNG
(CHEMBL3585360)
Show SMILES OC(=O)CSC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1
Show InChI InChI=1S/C19H18N2O4S2/c22-17(9-13-4-3-7-26-13)21-16(19(25)27-11-18(23)24)8-12-10-20-15-6-2-1-5-14(12)15/h1-7,10,16,20H,8-9,11H2,(H,21,22)(H,23,24)/t16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
170n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50092980
PNG
(CHEMBL3586479)
Show SMILES OC[C@H](NC(=O)Cc1cccs1)C(=O)SCC(O)=O
Show InChI InChI=1S/C11H13NO5S2/c13-5-8(11(17)19-6-10(15)16)12-9(14)4-7-2-1-3-18-7/h1-3,8,13H,4-6H2,(H,12,14)(H,15,16)/t8-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
170n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50092997
PNG
(CHEMBL3586481)
Show SMILES OC(=O)CSC(=O)[C@H](CCCCNC(=O)Cc1cccs1)NC(=O)Cc1cccs1
Show InChI InChI=1S/C20H24N2O5S3/c23-17(11-14-5-3-9-28-14)21-8-2-1-7-16(20(27)30-13-19(25)26)22-18(24)12-15-6-4-10-29-15/h3-6,9-10,16H,1-2,7-8,11-13H2,(H,21,23)(H,22,24)(H,25,26)/t16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50092979
PNG
(CHEMBL3586477)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)SCC(O)=O
Show InChI InChI=1S/C14H19NO4S2/c1-9(2)6-11(14(19)21-8-13(17)18)15-12(16)7-10-4-3-5-20-10/h3-5,9,11H,6-8H2,1-2H3,(H,15,16)(H,17,18)/t11-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50092842
PNG
(CHEMBL3586476)
Show SMILES CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)SCC(O)=O
Show InChI InChI=1S/C16H18N2O2.C4H4O4/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14;5-3(6)1-2-4(7)8/h5-8,10-12H,1-4,9H2,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
280n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50092977
PNG
(CHEMBL3586474)
Show SMILES OC(=O)CSC(=O)CNC(=O)Cc1cccs1
Show InChI InChI=1S/C10H11NO4S2/c12-8(4-7-2-1-3-16-7)11-5-10(15)17-6-9(13)14/h1-3H,4-6H2,(H,11,12)(H,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
280n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50092978
PNG
(CHEMBL3586475)
Show SMILES C[C@H](NC(=O)Cc1cccs1)C(=O)SCC(O)=O
Show InChI InChI=1S/C11H13NO4S2/c1-7(11(16)18-6-10(14)15)12-9(13)5-8-3-2-4-17-8/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
410n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50174181
PNG
(CHEMBL3809806)
Show SMILES CCCCc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2N)cc1
Show InChI InChI=1S/C20H23N5OS/c1-2-3-6-14-9-11-15(12-10-14)22-18(26)13-27-20-23-19(24-25-20)16-7-4-5-8-17(16)21/h4-5,7-12H,2-3,6,13,21H2,1H3,(H,22,26)(H,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
490n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed type inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of c...


ACS Med Chem Lett 7: 413-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00495
BindingDB Entry DOI: 10.7270/Q2GQ70PT
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM50174175
PNG
(CHEMBL3808813)
Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[nH]1
Show InChI InChI=1S/C16H13ClN4O2S/c17-11-2-1-3-12(8-11)18-14(23)9-24-16-19-15(20-21-16)10-4-6-13(22)7-5-10/h1-8,22H,9H2,(H,18,23)(H,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
630n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed type inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of c...


ACS Med Chem Lett 7: 413-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00495
BindingDB Entry DOI: 10.7270/Q2GQ70PT
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50093027
PNG
(CHEMBL3586482)
Show SMILES OC(=O)CSC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1
Show InChI InChI=1S/C35H46N4O9/c1-5-21(4)30(36-27(40)13-14-28(41)42)32(44)37-29(20(2)3)33(45)39-18-24(17-26(39)31(43)38-35(15-16-35)34(46)47)48-19-23-11-8-10-22-9-6-7-12-25(22)23/h6-12,20-21,24,26,29-30H,5,13-19H2,1-4H3,(H,36,40)(H,37,44)(H,38,43)(H,41,42)(H,46,47)/t21?,24-,26+,29+,30+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
870n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50092981
PNG
(CHEMBL3586480)
Show SMILES OC(=O)CSC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccs1
Show InChI InChI=1S/C17H17NO4S2/c19-15(10-13-7-4-8-23-13)18-14(17(22)24-11-16(20)21)9-12-5-2-1-3-6-12/h1-8,14H,9-11H2,(H,18,19)(H,20,21)/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
950n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089390
PNG
(CHEMBL3577963)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)[nH]1
Show InChI InChI=1S/C18H13N5O3S2/c24-14(20-17-19-12-7-3-4-8-13(12)28-17)9-27-18-21-15(22-23-18)10-5-1-2-6-11(10)16(25)26/h1-8H,9H2,(H,25,26)(H,19,20,24)(H,21,22,23)
PDB

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase 2


(Homo sapiens (Human))
BDBM50174264
PNG
(CHEMBL3808751)
Show SMILES OC(=O)[C@@H](S)c1ccccc1
Show InChI InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10)/t7-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.28E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus cereus 569/H/9 metallo-beta-lactamase Bc2 expressed in Escherichia coli GI724 cells using nitrocefin as substrate ...


ACS Med Chem Lett 7: 413-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00495
BindingDB Entry DOI: 10.7270/Q2GQ70PT
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089391
PNG
(CHEMBL3577964)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1
Show InChI InChI=1S/C17H13ClN4O3S/c18-10-5-7-11(8-6-10)19-14(23)9-26-17-20-15(21-22-17)12-3-1-2-4-13(12)16(24)25/h1-8H,9H2,(H,19,23)(H,24,25)(H,20,21,22)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089388
PNG
(CHEMBL3577961)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[nH]1
Show InChI InChI=1S/C17H14N4O3S/c22-14(18-11-6-2-1-3-7-11)10-25-17-19-15(20-21-17)12-8-4-5-9-13(12)16(23)24/h1-9H,10H2,(H,18,22)(H,23,24)(H,19,20,21)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089393
PNG
(CHEMBL3577970)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(c2)[N+]([O-])=O)[nH]1
Show InChI InChI=1S/C17H13N5O5S/c23-14(18-10-4-3-5-11(8-10)22(26)27)9-28-17-19-15(20-21-17)12-6-1-2-7-13(12)16(24)25/h1-8H,9H2,(H,18,23)(H,24,25)(H,19,20,21)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50299153
PNG
((Z)-5-{2-[3,5-bis(trifluoromethyl)benzyloxy]-5-bro...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H10BrF6NO3S/c20-13-1-2-14(10(5-13)6-15-16(28)27-17(29)31-15)30-8-9-3-11(18(21,22)23)7-12(4-9)19(24,25)26/h1-7H,8H2,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 19: 6161-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.020
BindingDB Entry DOI: 10.7270/Q20P102S
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089392
PNG
(CHEMBL3577965)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)[nH]1
Show InChI InChI=1S/C17H13N5O5S/c23-14(18-10-5-7-11(8-6-10)22(26)27)9-28-17-19-15(20-21-17)12-3-1-2-4-13(12)16(24)25/h1-8H,9H2,(H,18,23)(H,24,25)(H,19,20,21)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50299153
PNG
((Z)-5-{2-[3,5-bis(trifluoromethyl)benzyloxy]-5-bro...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H10BrF6NO3S/c20-13-1-2-14(10(5-13)6-15-16(28)27-17(29)31-15)30-8-9-3-11(18(21,22)23)7-12(4-9)19(24,25)26/h1-7H,8H2,(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP1 catalytic domain expressed in Escherichia coli


Bioorg Med Chem Lett 19: 6161-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.020
BindingDB Entry DOI: 10.7270/Q20P102S
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089385
PNG
(CHEMBL3577967)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[nH]1
Show InChI InChI=1S/C17H13ClN4O3S/c18-12-7-3-4-8-13(12)19-14(23)9-26-17-20-15(21-22-17)10-5-1-2-6-11(10)16(24)25/h1-8H,9H2,(H,19,23)(H,24,25)(H,20,21,22)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089386
PNG
(CHEMBL3577968)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[nH]1
Show InChI InChI=1S/C17H13ClN4O3S/c18-10-4-3-5-11(8-10)19-14(23)9-26-17-20-15(21-22-17)12-6-1-2-7-13(12)16(24)25/h1-8H,9H2,(H,19,23)(H,24,25)(H,20,21,22)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089387
PNG
(CHEMBL3577969)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+]([O-])=O)[nH]1
Show InChI InChI=1S/C17H13N5O5S/c23-14(18-12-7-3-4-8-13(12)22(26)27)9-28-17-19-15(20-21-17)10-5-1-2-6-11(10)16(24)25/h1-8H,9H2,(H,18,23)(H,24,25)(H,19,20,21)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089389
PNG
(CHEMBL3577962)
Show SMILES OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3[nH]2)[nH]1
Show InChI InChI=1S/C18H14N6O3S/c25-14(21-17-19-12-7-3-4-8-13(12)20-17)9-28-18-22-15(23-24-18)10-5-1-2-6-11(10)16(26)27/h1-8H,9H2,(H,26,27)(H,22,23,24)(H2,19,20,21,25)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50299153
PNG
((Z)-5-{2-[3,5-bis(trifluoromethyl)benzyloxy]-5-bro...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H10BrF6NO3S/c20-13-1-2-14(10(5-13)6-15-16(28)27-17(29)31-15)30-8-9-3-11(18(21,22)23)7-12(4-9)19(24,25)26/h1-7H,8H2,(H,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP


Bioorg Med Chem Lett 19: 6161-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.020
BindingDB Entry DOI: 10.7270/Q20P102S
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089395
PNG
(CHEMBL3577972)
Show SMILES OC(=O)CCc1nnc(SCC(=O)Nc2nc3ccccc3[nH]2)[nH]1
Show InChI InChI=1S/C14H14N6O3S/c21-11(18-13-15-8-3-1-2-4-9(8)16-13)7-24-14-17-10(19-20-14)5-6-12(22)23/h1-4H,5-7H2,(H,22,23)(H,17,19,20)(H2,15,16,18,21)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.50E+6n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089394
PNG
(CHEMBL3577971)
Show SMILES OC(=O)CCc1nnc(SCC(=O)Nc2ccccc2)[nH]1
Show InChI InChI=1S/C13H14N4O3S/c18-11(14-9-4-2-1-3-5-9)8-21-13-15-10(16-17-13)6-7-12(19)20/h1-5H,6-8H2,(H,14,18)(H,19,20)(H,15,16,17)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+6n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas veronii)
BDBM50089396
PNG
(CHEMBL3577974)
Show SMILES OC(=O)CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1
Show InChI InChI=1S/C13H13ClN4O3S/c14-8-1-3-9(4-2-8)15-11(19)7-22-13-16-10(17-18-13)5-6-12(20)21/h1-4H,5-7H2,(H,15,19)(H,20,21)(H,16,17,18)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+6n/an/an/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 min...


ACS Med Chem Lett 6: 455-60 (2015)


Article DOI: 10.1021/ml500534c
BindingDB Entry DOI: 10.7270/Q2XP76P0
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50175305
PNG
(CHEMBL3600873)
Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F
Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0640n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50241089
PNG
(2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...)
Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O
Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.370n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using myelin protein as substrate assessed as ADP generation after 60 mins by ADP-glo assay


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50193122
PNG
(CHEMBL3899727)
Show SMILES Cl.CC(C)CNCCOc1ccc(cc1)-c1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1
Show InChI InChI=1S/C28H29N5O3S2.ClH/c1-16(2)15-29-11-12-36-20-9-7-19(8-10-20)24-18(4)23-26(32-33-22(34)14-17(3)28(33)35)30-25(31-27(23)38-24)21-6-5-13-37-21;/h5-10,13-14,16,29H,11-12,15H2,1-4H3,(H,30,31,32);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...


Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50193123
PNG
(CHEMBL3954358)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OC3CCNC3)cc2)-c2cccs2)C1=O
Show InChI InChI=1S/C26H23N5O3S2.ClH/c1-14-12-20(32)31(26(14)33)30-24-21-15(2)22(36-25(21)29-23(28-24)19-4-3-11-35-19)16-5-7-17(8-6-16)34-18-9-10-27-13-18;/h3-8,11-12,18,27H,9-10,13H2,1-2H3,(H,28,29,30);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...


Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50193116
PNG
(CHEMBL3936771)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OCCNCCO)cc2)-c2cccs2)C1=O
Show InChI InChI=1S/C26H25N5O4S2.ClH/c1-15-14-20(33)31(26(15)34)30-24-21-16(2)22(37-25(21)29-23(28-24)19-4-3-13-36-19)17-5-7-18(8-6-17)35-12-10-27-9-11-32;/h3-8,13-14,27,32H,9-12H2,1-2H3,(H,28,29,30);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...


Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50193115
PNG
(CHEMBL3945656)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OCCN3CCCC3)cc2)-c2cccs2)C1=O
Show InChI InChI=1S/C28H27N5O3S2.ClH/c1-17-16-22(34)33(28(17)35)31-26-23-18(2)24(38-27(23)30-25(29-26)21-6-5-15-37-21)19-7-9-20(10-8-19)36-14-13-32-11-3-4-12-32;/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,29,30,31);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...


Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50193112
PNG
(CHEMBL3966536)
Show SMILES Cl.CNCCOc1ccc(cc1)-c1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1
Show InChI InChI=1S/C25H23N5O3S2.ClH/c1-14-13-19(31)30(25(14)32)29-23-20-15(2)21(16-6-8-17(9-7-16)33-11-10-26-3)35-24(20)28-22(27-23)18-5-4-12-34-18;/h4-9,12-13,26H,10-11H2,1-3H3,(H,27,28,29);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...


Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50193118
PNG
(CHEMBL3904118)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2cccs2)C1=O
Show InChI InChI=1S/C17H14N4O2S2/c1-8-7-12(22)21(17(8)23)20-15-13-9(2)10(3)25-16(13)19-14(18-15)11-5-4-6-24-11/h4-7H,1-3H3,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...


Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50193112
PNG
(CHEMBL3966536)
Show SMILES Cl.CNCCOc1ccc(cc1)-c1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1
Show InChI InChI=1S/C25H23N5O3S2.ClH/c1-14-13-19(31)30(25(14)32)29-23-20-15(2)21(16-6-8-17(9-7-16)33-11-10-26-3)35-24(20)28-22(27-23)18-5-4-12-34-18;/h4-9,12-13,26H,10-11H2,1-3H3,(H,27,28,29);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50193118
PNG
(CHEMBL3904118)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2cccs2)C1=O
Show InChI InChI=1S/C17H14N4O2S2/c1-8-7-12(22)21(17(8)23)20-15-13-9(2)10(3)25-16(13)19-14(18-15)11-5-4-6-24-11/h4-7H,1-3H3,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50234237
PNG
(CHEMBL4103951)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)c(C)c23)-c2nccs2)C1=O
Show InChI InChI=1S/C16H13N5O2S2/c1-7-6-10(22)21(16(7)23)20-12-11-8(2)9(3)25-14(11)19-13(18-12)15-17-4-5-24-15/h4-6H,1-3H3,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50193114
PNG
(CHEMBL3958547)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)cc23)-c2cccs2)C1=O
Show InChI InChI=1S/C16H12N4O2S2/c1-8-6-12(21)20(16(8)22)19-13-10-7-9(2)24-15(10)18-14(17-13)11-4-3-5-23-11/h3-7H,1-2H3,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...


Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Beta-lactamase L1


(Stenotrophomonas maltophilia)
BDBM50092976
PNG
(CHEMBL3586478)
Show SMILES CSCC[C@H](NC(=O)Cc1cccs1)C(=O)SCC(O)=O
Show InChI InChI=1S/C13H17NO4S3/c1-19-6-4-10(13(18)21-8-12(16)17)14-11(15)7-9-3-2-5-20-9/h2-3,5,10H,4,6-8H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mins prior to...


ACS Med Chem Lett 6: 660-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00098
BindingDB Entry DOI: 10.7270/Q2M04769
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50300690
PNG
(CHEMBL576982 | N-(5-tert-Butyl-isoxazol-3-yl)-N'-{...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50300690
PNG
(CHEMBL576982 | N-(5-tert-Butyl-isoxazol-3-yl)-N'-{...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...


Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50085442
PNG
(CHEMBL3427664)
Show SMILES COc1cccc(CCCn2cccc(\C=C\C(=O)NO)c2=O)c1
Show InChI InChI=1S/C18H20N2O4/c1-24-16-8-2-5-14(13-16)6-3-11-20-12-4-7-15(18(20)22)9-10-17(21)19-23/h2,4-5,7-10,12-13,23H,3,6,11H2,1H3,(H,19,21)/b10-9+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...


J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50085318
PNG
(CHEMBL3427648)
Show SMILES ONC(=O)\C=C\c1cccn(Cc2ccc3ccccc3n2)c1=O
Show InChI InChI=1S/C18H15N3O3/c22-17(20-24)10-8-14-5-3-11-21(18(14)23)12-15-9-7-13-4-1-2-6-16(13)19-15/h1-11,24H,12H2,(H,20,22)/b10-8+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...


J Med Chem 58: 3512-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00062
BindingDB Entry DOI: 10.7270/Q2GB25R3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50193121
PNG
(CHEMBL3975030)
Show SMILES Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OC3CCNCC3)cc2)-c2cccs2)C1=O
Show InChI InChI=1S/C27H25N5O3S2.ClH/c1-15-14-21(33)32(27(15)34)31-25-22-16(2)23(37-26(22)30-24(29-25)20-4-3-13-36-20)17-5-7-18(8-6-17)35-19-9-11-28-12-10-19;/h3-8,13-14,19,28H,9-12H2,1-2H3,(H,29,30,31);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins...


Eur J Med Chem 120: 74-85 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.022
BindingDB Entry DOI: 10.7270/Q2BG2QX3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50234238
PNG
(CHEMBL4086034)
Show SMILES CC1=CC(=O)N(Nc2nc(nc3sc(C)cc23)-c2nccs2)C1=O
Show InChI InChI=1S/C15H11N5O2S2/c1-7-5-10(21)20(15(7)22)19-11-9-6-8(2)24-13(9)18-12(17-11)14-16-3-4-23-14/h3-6H,1-2H3,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide...


Bioorg Med Chem Lett 27: 496-500 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50056799
PNG
(CHEMBL3326029)
Show SMILES COc1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1
Show InChI InChI=1S/C17H14N4O3S2/c1-8-7-11(22)21(16(8)23)20-14-12-9(2)17(24-3)26-15(12)19-13(18-14)10-5-4-6-25-10/h4-7H,1-3H3,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human FLT D835Y mutant using 10 uM ATP


Eur J Med Chem 85: 399-407 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.001
BindingDB Entry DOI: 10.7270/Q2X35038
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 216 total )  |  Next  |  Last  >>
Jump to: