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BDBM50321812 (4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid 1-{[(2S,3S)-2-benzyloxy-5-oxo-tetrahydrofuran-3-ylcarbamoyl]-methyl}-(3R)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylmethyl ester::CHEMBL1171868

SMILES: FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H]2CC(=O)O[C@@H]2OCc2ccccc2)C1=O

InChI Key: InChIKey=HIEMOGIUNPPUDP-AXJWHKOCSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50321812   
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
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50321812
PNG
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)
Show SMILES FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H]2CC(=O)O[C@@H]2OCc2ccccc2)C1=O
Show InChI InChI=1S/C37H30ClF3N4O7/c38-24-15-16-27(26(17-24)37(39,40)41)44-36(49)51-21-29-34(48)45(30-14-8-7-13-25(30)33(43-29)23-11-5-2-6-12-23)19-31(46)42-28-18-32(47)52-35(28)50-20-22-9-3-1-4-10-22/h1-17,28-29,35H,18-21H2,(H,42,46)(H,44,49)/t28-,29+,35-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
800n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 to 15 mins


Eur J Med Chem 45: 3228-33 (2010)

More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50321812
PNG
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)
Show SMILES FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H]2CC(=O)O[C@@H]2OCc2ccccc2)C1=O
Show InChI InChI=1S/C37H30ClF3N4O7/c38-24-15-16-27(26(17-24)37(39,40)41)44-36(49)51-21-29-34(48)45(30-14-8-7-13-25(30)33(43-29)23-11-5-2-6-12-23)19-31(46)42-28-18-32(47)52-35(28)50-20-22-9-3-1-4-10-22/h1-17,28-29,35H,18-21H2,(H,42,46)(H,44,49)/t28-,29+,35-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.90E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum Falcipain-2 after 10 to 15 mins


Eur J Med Chem 45: 3228-33 (2010)

More data for this
Ligand-Target Pair