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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Placenta growth factor' and Ligand = 'BDBM50339192'   
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
Placenta growth factor


(Homo sapiens (Human))
BDBM50339192
PNG
(CHEMBL1689461)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)C(N)=O |r|
Show InChI InChI=1S/C99H143N23O23S3/c1-53(2)41-72-99(144)121-38-20-27-75(121)94(139)113-70(44-62-47-103-52-105-62)89(134)115-73(92(137)110-67(26-17-19-37-101)87(132)117-81(54(3)4)95(140)108-65(85(102)130)35-40-146-10)50-147-148-51-74(93(138)109-66(25-16-18-36-100)86(131)111-69(43-60-46-104-64-24-15-14-23-63(60)64)90(135)119-83(56(7)8)97(142)120-84(57(9)123)98(143)114-72)116-96(141)82(55(5)6)118-91(136)71(45-80(128)129)112-88(133)68(42-59-21-12-11-13-22-59)107-77(125)49-145-48-76(124)106-61-31-28-58(29-32-61)30-33-78(126)122-39-34-79(122)127/h11-15,21-24,28-29,31-32,46-47,52-57,65-75,81-84,104,123H,16-20,25-27,30,33-45,48-51,100-101H2,1-10H3,(H2,102,130)(H,103,105)(H,106,124)(H,107,125)(H,108,140)(H,109,138)(H,110,137)(H,111,131)(H,112,133)(H,113,139)(H,114,143)(H,115,134)(H,116,141)(H,117,132)(H,118,136)(H,119,135)(H,120,142)(H,128,129)/t57-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,81+,82+,83+,84+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PlGF-1-VEGFR-1 interaction by ELISA


J Med Chem 54: 1256-65 (2011)


Article DOI: 10.1021/jm101226k
BindingDB Entry DOI: 10.7270/Q2BK1CN1
More data for this
Ligand-Target Pair
Placenta growth factor


(Homo sapiens (Human))
BDBM50339192
PNG
(CHEMBL1689461)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)C(N)=O |r|
Show InChI InChI=1S/C99H143N23O23S3/c1-53(2)41-72-99(144)121-38-20-27-75(121)94(139)113-70(44-62-47-103-52-105-62)89(134)115-73(92(137)110-67(26-17-19-37-101)87(132)117-81(54(3)4)95(140)108-65(85(102)130)35-40-146-10)50-147-148-51-74(93(138)109-66(25-16-18-36-100)86(131)111-69(43-60-46-104-64-24-15-14-23-63(60)64)90(135)119-83(56(7)8)97(142)120-84(57(9)123)98(143)114-72)116-96(141)82(55(5)6)118-91(136)71(45-80(128)129)112-88(133)68(42-59-21-12-11-13-22-59)107-77(125)49-145-48-76(124)106-61-31-28-58(29-32-61)30-33-78(126)122-39-34-79(122)127/h11-15,21-24,28-29,31-32,46-47,52-57,65-75,81-84,104,123H,16-20,25-27,30,33-45,48-51,100-101H2,1-10H3,(H2,102,130)(H,103,105)(H,106,124)(H,107,125)(H,108,140)(H,109,138)(H,110,137)(H,111,131)(H,112,133)(H,113,139)(H,114,143)(H,115,134)(H,116,141)(H,117,132)(H,118,136)(H,119,135)(H,120,142)(H,128,129)/t57-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,81+,82+,83+,84+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 200n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human PlGF-1


J Med Chem 54: 1256-65 (2011)


Article DOI: 10.1021/jm101226k
BindingDB Entry DOI: 10.7270/Q2BK1CN1
More data for this
Ligand-Target Pair