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3 similar compounds to monomer 50230218

Compile data set for download or QSAR
Wt: 289.7
BDBM50230219
Wt: 574.3
BDBM50230185
Wt: 598.7
BDBM50230209

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50230219,50230185,50230209   
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
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50230209
PNG
(CHEMBL4100272)
Show SMILES CO[C@@H]1CC\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C
Show InChI InChI=1/C32H46N4O7/c1-21(2)28-30(39)33-26(20-23-13-11-14-24(37)19-23)31(40)36-17-12-15-25(35-36)32(41)43-18-10-8-6-5-7-9-16-27(42-4)22(3)29(38)34-28/h5-8,11,13-14,19,21-22,25-28,35,37H,9-10,12,15-18,20H2,1-4H3,(H,33,39)(H,34,38)/b7-5+,8-6+/t22-,25+,26+,27-,28+/s2
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65n/an/an/an/an/an/an/an/a



Selcia Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su...


J Med Chem 60: 1000-1017 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50230185
PNG
(CHEMBL4104599)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Br)cc4OC(F)(F)F)cc3)c12
Show InChI InChI=1S/C25H19BrF3N5O3/c26-14-6-9-17(19(12-14)37-25(27,28)29)32-23(36)24(10-11-24)22(35)31-15-7-4-13(5-8-15)16-2-1-3-18-20(16)21(30)34-33-18/h1-9,12H,10-11H2,(H,31,35)(H,32,36)(H3,30,33,34)
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n/an/a 5.60n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50230209
PNG
(CHEMBL4100272)
Show SMILES CO[C@@H]1CC\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C
Show InChI InChI=1/C32H46N4O7/c1-21(2)28-30(39)33-26(20-23-13-11-14-24(37)19-23)31(40)36-17-12-15-25(35-36)32(41)43-18-10-8-6-5-7-9-16-27(42-4)22(3)29(38)34-28/h5-8,11,13-14,19,21-22,25-28,35,37H,9-10,12,15-18,20H2,1-4H3,(H,33,39)(H,34,38)/b7-5+,8-6+/t22-,25+,26+,27-,28+/s2
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n/an/an/a 65n/an/an/an/an/a



Selcia Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i...


J Med Chem 60: 1000-1017 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50230185
PNG
(CHEMBL4104599)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Br)cc4OC(F)(F)F)cc3)c12
Show InChI InChI=1S/C25H19BrF3N5O3/c26-14-6-9-17(19(12-14)37-25(27,28)29)32-23(36)24(10-11-24)22(35)31-15-7-4-13(5-8-15)16-2-1-3-18-20(16)21(30)34-33-18/h1-9,12H,10-11H2,(H,31,35)(H,32,36)(H3,30,33,34)
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n/an/a 134n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)
BDBM50230219
PNG
(CHEMBL545088)
Show SMILES Cl.Cc1cn(cn1)-c1cccc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C10H11N3O3S.ClH/c1-8-6-13(7-12-8)9-3-2-4-10(5-9)16-17(11,14)15;/h2-7H,1H3,(H2,11,14,15);1H
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n/an/a 94n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.


J Med Chem 35: 4790-4 (1992)


Article DOI: 10.1021/jm00104a003
BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50230185
PNG
(CHEMBL4104599)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Br)cc4OC(F)(F)F)cc3)c12
Show InChI InChI=1S/C25H19BrF3N5O3/c26-14-6-9-17(19(12-14)37-25(27,28)29)32-23(36)24(10-11-24)22(35)31-15-7-4-13(5-8-15)16-2-1-3-18-20(16)21(30)34-33-18/h1-9,12H,10-11H2,(H,31,35)(H,32,36)(H3,30,33,34)
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n/an/a 4.5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair