BDBM84711 nafarelin 31Nal

SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

InChI Key InChIKey=OYTVRDXKSIYFLS-HHTYJAIXSA-N

Data  1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84711   

TargetProgonadoliberin-1(RAT)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM84711(nafarelin 31Nal)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C68H84N16O13/c1-38(2)28-50(60(90)77-49(16-8-26-73-68(70)71)67(97)84-27-9-17-56(84)66(96)74-35-57(69)87)78-62(92)52(31-40-18-21-41-10-3-4-12-43(41)29-40)79-61(91)51(30-39-19-22-46(86)23-20-39)80-65(95)55(36-85)83-63(93)53(32-44-14-7-13-42-11-5-6-15-47(42)44)81-64(94)54(33-45-34-72-37-75-45)82-59(89)48-24-25-58(88)76-48/h3-7,10-15,18-23,29,34,37-38,48-56,85-86H,8-9,16-17,24-28,30-33,35-36H2,1-2H3,(H2,69,87)(H,72,75)(H,74,96)(H,76,88)(H,77,90)(H,78,92)(H,79,91)(H,80,95)(H,81,94)(H,82,89)(H,83,93)(H4,70,71,73)/t48-,49-,50-,51-,52+,53-,54-,55-,56-/m0/s1
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair