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BDBM50188237 CHEMBL3828744

SMILES: COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)c1ccc(OC)cc1)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CN(NC(=O)CCOC)C(=O)CN(C)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1

InChI Key: InChIKey=UWZMZVSLKFXELD-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50188237   
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
Platelet-activating factor acetylhydrolase IB subunit beta


(Homo sapiens (Human))
BDBM50188237
PNG
(CHEMBL3828744)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)c1ccc(OC)cc1)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CN(NC(=O)CCOC)C(=O)CN(C)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C68H84BrClN18O18S/c1-80(56(91)40-88-68(102)106-66(78-88)53-27-26-52(107-53)45-14-20-48(69)21-15-45)37-60(95)84(75-55(90)28-34-103-2)42-61(96)86(77-64(99)46-16-22-49(70)23-17-46)43-63(98)87(79-67(101)74-50-12-6-5-7-13-50)44-62(97)85(76-65(100)47-18-24-51(105-4)25-19-47)41-59(94)83(33-35-104-3)39-58(93)82(32-11-9-30-72)38-57(92)81(36-54(73)89)31-10-8-29-71/h5-7,12-27H,8-11,28-44,71-72H2,1-4H3,(H2,73,89)(H,75,90)(H,76,100)(H,77,99)(H2,74,79,101)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as substrate by Ellman's assay


Bioorg Med Chem 24: 3953-3963 (2016)

More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit beta


(Homo sapiens (Human))
BDBM50188237
PNG
(CHEMBL3828744)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)c1ccc(OC)cc1)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CN(NC(=O)CCOC)C(=O)CN(C)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C68H84BrClN18O18S/c1-80(56(91)40-88-68(102)106-66(78-88)53-27-26-52(107-53)45-14-20-48(69)21-15-45)37-60(95)84(75-55(90)28-34-103-2)42-61(96)86(77-64(99)46-16-22-49(70)23-17-46)43-63(98)87(79-67(101)74-50-12-6-5-7-13-50)44-62(97)85(76-65(100)47-18-24-51(105-4)25-19-47)41-59(94)83(33-35-104-3)39-58(93)82(32-11-9-30-72)38-57(92)81(36-54(73)89)31-10-8-29-71/h5-7,12-27H,8-11,28-44,71-72H2,1-4H3,(H2,73,89)(H,75,90)(H,76,100)(H,77,99)(H2,74,79,101)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Time-dependent inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as substrate by Ellman's assay


Bioorg Med Chem 24: 3953-3963 (2016)

More data for this
Ligand-Target Pair