Reaction Details  Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50506020
Substrate
n/a
Meas. Tech.
ChEMBL_1824655 (CHEMBL4324419)
EC50
0.180000±n/a nM
Citation
 Su, S; Clarke, A; Han, Y; Chao, HJ; Bostwick, J; Schumacher, W; Wang, T; Yan, M; Hsu, MY; Simmons, E; Luk, C; Xu, C; Dabros, M; Galella, M; Onorato, J; Gordon, D; Wexler, R; Gargalovic, PS; Lawrence, RM Biphenyl Acid Derivatives as APJ Receptor Agonists. J Med Chem 62:10456-10465 (2019) [PubMed]  Article
Target
Name:
Apelin receptor
Synonyms:
AGTRL1 | APJ | APJ_HUMAN | APLNR | Angiotensin receptor-like 1 | Apelin receptor | Apelin receptor (APJ) | G-protein coupled receptor APJ | G-protein coupled receptor HG11
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42664.06
Organism:
Homo sapiens (Human)
Description:
P35414
Residue:
380
Sequence:
MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
  
Inhibitor
Name:
BDBM50506020
Synonyms:
CHEMBL4450702
Type:
Small organic molecule
Emp. Form.:
C32H29N3O3
Mol. Mass.:
503.591
SMILES:
CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(C)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(52.74,-6.81,;54.08,-6.04,;55.41,-6.81,;56.75,-6.04,;58.09,-6.8,;59.42,-6.03,;59.42,-4.49,;60.76,-6.8,;60.76,-8.35,;62.09,-9.11,;63.42,-8.34,;63.42,-6.8,;62.09,-6.03,;64.76,-6.03,;64.76,-4.49,;66.09,-6.8,;64.75,-9.11,;66.08,-8.34,;66.84,-6.99,;67.42,-9.11,;67.42,-10.66,;66.08,-11.43,;64.75,-10.66,;63.41,-11.43,;62.01,-10.81,;60.99,-11.95,;59.45,-11.95,;58.67,-13.27,;59.45,-14.61,;60.98,-14.61,;61.75,-13.28,;63.26,-12.96,;56.75,-4.5,;58.08,-3.73,;58.08,-2.19,;56.74,-1.42,;55.4,-2.2,;55.41,-3.74,)|
Structure:
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