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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50051407   
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
Endothelin receptor type B


(Sus scrofa)
BDBM50051407
PNG
(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O
Show InChI InChI=1S/C30H44ClN5O5/c1-6-7-14-23(29(39)40)33-27(37)24(16-21-20-13-8-9-15-22(20)32-26(21)31)34-28(38)25(17(2)3)35-30(41)36-18(4)11-10-12-19(36)5/h8-9,13,15,17-19,23-25,32H,6-7,10-12,14,16H2,1-5H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,23?,24-,25?/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes


J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Sus scrofa)
BDBM50051407
PNG
(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O
Show InChI InChI=1S/C30H44ClN5O5/c1-6-7-14-23(29(39)40)33-27(37)24(16-21-20-13-8-9-15-22(20)32-26(21)31)34-28(38)25(17(2)3)35-30(41)36-18(4)11-10-12-19(36)5/h8-9,13,15,17-19,23-25,32H,6-7,10-12,14,16H2,1-5H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,23?,24-,25?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin A receptor in porcine aortic smooth muscle membranes.


J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair