BDBM50289651 CHEMBL407188::Compound [S15]ET-1

SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key InChIKey=OBEIVYFBZMBARX-QJBWIXBOSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50289651   

TargetEndothelin receptor type B(Bos taurus)
TBA

Curated by ChEMBL
LigandPNGBDBM50289651(CHEMBL407188 | Compound [S15]ET-1)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C65H89N13O15/c1-9-36(7)54(63(90)75-50(65(92)93)27-40-30-68-44-19-15-14-18-43(40)44)78-64(91)55(37(8)10-2)77-60(87)49(29-52(81)82)73-56(83)45(24-34(3)4)70-59(86)48(28-41-31-67-33-69-41)72-61(88)51(32-79)76-58(85)46(25-38-16-12-11-13-17-38)71-57(84)47(74-62(89)53(66)35(5)6)26-39-20-22-42(80)23-21-39/h11-23,30-31,33-37,45-51,53-55,68,79-80H,9-10,24-29,32,66H2,1-8H3,(H,67,69)(H,70,86)(H,71,84)(H,72,88)(H,73,83)(H,74,89)(H,75,90)(H,76,85)(H,77,87)(H,78,91)(H,81,82)(H,92,93)/t36-,37-,45-,46-,47-,48-,49-,50-,51-,53-,54-,55-/m0/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Binding activity to ET-B receptor on bovine cerebellum membraneMore data for this Ligand-Target Pair
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