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BDBM50339203 CHEMBL1689472

SMILES: CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)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

InChI Key: InChIKey=IUCNCYUXAKBOKU-JUJOXFDRSA-N

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50339203   
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
Placenta growth factor


(Mus musculus)
BDBM50339203
PNG
(CHEMBL1689472)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)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/C96H143N23O26S3/c1-50(2)39-68-96(144)118-36-20-25-71(118)91(139)110-65(41-60-44-99-49-102-60)86(134)112-69(89(137)107-63(23-16-18-34-100-55(10)121)84(132)114-78(51(3)4)92(140)105-61(82(98)130)33-38-146-12)47-147-148-48-70(113-93(141)79(52(5)6)116-88(136)67(43-77(128)129)109-85(133)64(103-56(11)122)40-58-21-14-13-15-22-58)90(138)108-66(42-72(97)123)87(135)106-62(83(131)115-80(53(7)8)94(142)117-81(54(9)120)95(143)111-68)24-17-19-35-101-73(124)45-145-46-74(125)104-59-29-26-57(27-30-59)28-31-75(126)119-37-32-76(119)127/h13-15,21-22,26-27,29-30,44,49-54,61-71,78-81,120H,16-20,23-25,28,31-43,45-48H2,1-12H3,(H2,97,123)(H2,98,130)(H,99,102)(H,100,121)(H,101,124)(H,103,122)(H,104,125)(H,105,140)(H,106,135)(H,107,137)(H,108,138)(H,109,133)(H,110,139)(H,111,143)(H,112,134)(H,113,141)(H,114,132)(H,115,131)(H,116,136)(H,117,142)(H,128,129)/t54-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,78+,79+,80+,81+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
KEGG
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 mouse PlGF-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))
BDBM50339203
PNG
(CHEMBL1689472)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)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/C96H143N23O26S3/c1-50(2)39-68-96(144)118-36-20-25-71(118)91(139)110-65(41-60-44-99-49-102-60)86(134)112-69(89(137)107-63(23-16-18-34-100-55(10)121)84(132)114-78(51(3)4)92(140)105-61(82(98)130)33-38-146-12)47-147-148-48-70(113-93(141)79(52(5)6)116-88(136)67(43-77(128)129)109-85(133)64(103-56(11)122)40-58-21-14-13-15-22-58)90(138)108-66(42-72(97)123)87(135)106-62(83(131)115-80(53(7)8)94(142)117-81(54(9)120)95(143)111-68)24-17-19-35-101-73(124)45-145-46-74(125)104-59-29-26-57(27-30-59)28-31-75(126)119-37-32-76(119)127/h13-15,21-22,26-27,29-30,44,49-54,61-71,78-81,120H,16-20,23-25,28,31-43,45-48H2,1-12H3,(H2,97,123)(H2,98,130)(H,99,102)(H,100,121)(H,101,124)(H,103,122)(H,104,125)(H,105,140)(H,106,135)(H,107,137)(H,108,138)(H,109,133)(H,110,139)(H,111,143)(H,112,134)(H,113,141)(H,114,132)(H,115,131)(H,116,136)(H,117,142)(H,128,129)/t54-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,78+,79+,80+,81+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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