Reaction Details Report a problem with these data
Target
Placenta growth factor
Ligand
BDBM50339224
Substrate
n/a
Meas. Tech.
ChEMBL_736105 (CHEMBL1692888)
IC50
9000±n/a nM
Citation
 Bower, KE; Lam, SN; Oates, BD; Del Rosario, JR; Corner, E; Osothprarop, TF; Kinhikar, AG; Hoye, JA; Preston, RR; Murphy, RE; Campbell, LA; Huang, H; Jimenez, J; Cao, X; Chen, G; Ainekulu, ZW; Datt, AB; Levin, NJ; Doppalapudi, VR; Pirie-Shepherd, SR; Bradshaw, C; Woodnutt, G; Lappe, RW Evolution of potent and stable placental-growth-factor-1-targeting CovX-bodies from phage display peptide discovery. J Med Chem 54:1256-65 (2011) [PubMed]  Article 
Target
Name:
Placenta growth factor
Synonyms:
PGF | PGFL | PLGF | PLGF_HUMAN
Type:
PROTEIN
Mol. Mass.:
24794.98
Organism:
Homo sapiens (Human)
Description:
ChEMBL_942634
Residue:
221
Sequence:
MPVMRLFPCFLQLLAGLALPAVPPQQWALSAGNGSSEVEVVPFQEVWGRSYCRALERLVDVVSEYPSEVEHMFSPSCVSLLRCTGCCGDENLHCVPVETANVTMQLLKIRSGDRPSYVELTFSQHVRCECRHSPGRQSPDMPGDFRADAPSFLPPRRSLPMLFRMEWGCALTGSQSAVWPSSPVPEEIPRMHPGRNGKKQQRKPLREKMKPERCGDAVPRR
  
Inhibitor
Name:
BDBM50339224
Synonyms:
(S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,26S,31aS)-3-((1H-imidazol-5-yl)methyl)-17-((1H-indol-3-yl)methyl)-14-(2-amino-2-oxoethyl)-6-((5S,8S,11S)-16-amino-5-carbamoyl-16-imino-8-isopropyl-7,10-dioxo-2-thia-6,9,15-triazahexadecan-11-ylcarbamoyl)-26-isobutyl-20-isopropyl-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2,5,8,11,14,17,20,23,26]dithiaoctaazacyclononacosin-11-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-((S)-2-acetamido-3-phenylpropanamido)-4-oxobutanoic acid | CHEMBL1689450
Type:
Small organic molecule
Emp. Form.:
C81H119N23O19S3
Mol. Mass.:
1815.149
SMILES:
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)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](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)NCC(=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,wU:62.63,70.71,110.114,106.109,84.87,4.4,12.19,32.32,44.52,wD:23.22,28.28,95.98,8.8,36.40,(-1.87,-51.42,;-.54,-50.65,;-.54,-49.11,;.8,-48.34,;.8,-46.8,;2.14,-46.03,;3.47,-46.8,;3.47,-48.34,;4.8,-46.03,;6.14,-46.8,;7.47,-46.03,;7.47,-44.49,;8.81,-46.8,;8.81,-48.34,;7.47,-49.11,;7.47,-50.65,;6.14,-51.42,;6.14,-52.97,;7.47,-53.74,;4.8,-53.74,;10.14,-46.04,;11.47,-46.8,;11.47,-48.33,;12.8,-46.03,;12.8,-44.49,;11.48,-43.67,;11.5,-42.1,;10.16,-41.3,;10.17,-39.75,;8.84,-38.98,;7.5,-39.72,;7.5,-41.27,;6.16,-38.97,;4.83,-39.74,;3.51,-38.99,;3.51,-37.46,;2.16,-39.76,;2.18,-41.29,;.84,-42.09,;-.52,-41.33,;.86,-43.65,;.85,-39,;.86,-37.44,;2.21,-36.67,;-.49,-36.66,;-.48,-35.1,;.87,-34.33,;2.22,-35.12,;3.57,-34.35,;3.58,-32.79,;2.22,-32,;.88,-32.78,;-1.84,-37.43,;-3.18,-36.64,;-4.54,-37.41,;-3.18,-35.08,;6.16,-37.44,;7.48,-36.67,;4.82,-36.67,;11.54,-38.99,;12.87,-39.73,;11.48,-37.5,;12.81,-36.73,;12.83,-35.2,;11.48,-34.41,;10.13,-35.17,;11.49,-32.86,;14.15,-37.52,;14.14,-39.05,;15.49,-36.76,;16.81,-37.55,;18.14,-36.8,;18.15,-35.26,;19.42,-34.39,;18.96,-32.92,;17.43,-32.9,;16.42,-31.75,;14.91,-32.05,;14.42,-33.51,;15.44,-34.66,;16.93,-34.36,;16.79,-39.08,;15.45,-39.85,;18.12,-39.87,;22.06,-37.6,;23.4,-36.82,;23.4,-35.29,;24.73,-37.6,;22.08,-39.15,;23.41,-39.9,;20.77,-39.9,;20.75,-41.45,;19.42,-42.23,;18.09,-41.47,;19.44,-43.76,;18.11,-44.54,;16.78,-43.78,;15.44,-44.55,;14.12,-43.78,;15.45,-46.08,;18.11,-46.08,;16.79,-46.84,;19.45,-46.83,;20.91,-46.37,;21.81,-47.62,;20.91,-48.84,;19.45,-48.36,;18.1,-49.13,;18.09,-50.66,;16.78,-48.36,;15.45,-49.11,;15.43,-50.66,;14.1,-51.43,;12.85,-50.55,;11.63,-51.49,;12.14,-52.94,;13.67,-52.9,;14.12,-48.35,;12.79,-49.11,;14.13,-46.81,;4.8,-44.47,;6.15,-43.69,;3.45,-43.69,;-.54,-46.03,;-1.87,-46.8,;-.54,-44.49,)|
Structure:
Search PDB for entries with ligand similarity: