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BDBM50146717 (S)-[(S)-1-(2-Chloro-6-fluoro-benzyl)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid::CHEMBL431286

SMILES: Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3c(F)cccc3Cl)c3ccccc23)c2ccccc2)n1

InChI Key: InChIKey=OXPNVLRJIHCUBM-OFSOJUDTSA-N

Data: 2 IC50

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 = 50146717   
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
EDNRB


(Homo sapiens (Human))
BDBM50146717
PNG
((S)-[(S)-1-(2-Chloro-6-fluoro-benzyl)-2-oxo-5-phen...)
Show SMILES Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3c(F)cccc3Cl)c3ccccc23)c2ccccc2)n1
Show InChI InChI=1S/C30H26ClFN4O4/c1-18-15-19(2)35-29(34-18)40-27(28(38)39)30(20-9-4-3-5-10-20)22-11-6-7-14-25(22)36(26(37)16-33-30)17-21-23(31)12-8-13-24(21)32/h3-15,27,33H,16-17H2,1-2H3,(H,38,39)/t27-,30+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10.9n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra...


J Med Chem 47: 2776-95 (2004)


Article DOI: 10.1021/jm031115r
BindingDB Entry DOI: 10.7270/Q2Z89BVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50146717
PNG
((S)-[(S)-1-(2-Chloro-6-fluoro-benzyl)-2-oxo-5-phen...)
Show SMILES Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3c(F)cccc3Cl)c3ccccc23)c2ccccc2)n1
Show InChI InChI=1S/C30H26ClFN4O4/c1-18-15-19(2)35-29(34-18)40-27(28(38)39)30(20-9-4-3-5-10-20)22-11-6-7-14-25(22)36(26(37)16-33-30)17-21-23(31)12-8-13-24(21)32/h3-15,27,33H,16-17H2,1-2H3,(H,38,39)/t27-,30+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra...


J Med Chem 47: 2776-95 (2004)


Article DOI: 10.1021/jm031115r
BindingDB Entry DOI: 10.7270/Q2Z89BVT
More data for this
Ligand-Target Pair