BDBM84718 nafarelin 2NMeHis

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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=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=JBNRERWCNQQLTJ-UJJXWCNTSA-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 = 84718   

TargetProgonadoliberin-1(RAT)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM84718(nafarelin 2NMeHis)
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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=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/C67H85N17O13/c1-37(2)26-49(58(89)77-47(14-8-24-72-67(69)70)66(97)84-25-9-15-54(84)63(94)74-34-56(68)87)78-60(91)51(29-39-16-19-40-10-4-5-11-41(40)27-39)79-59(90)50(28-38-17-20-44(86)21-18-38)80-62(93)53(35-85)82-61(92)52(30-42-32-73-46-13-7-6-12-45(42)46)81-64(95)55(31-43-33-71-36-75-43)83(3)65(96)48-22-23-57(88)76-48/h4-7,10-13,16-21,27,32-33,36-37,47-55,73,85-86H,8-9,14-15,22-26,28-31,34-35H2,1-3H3,(H2,68,87)(H,71,75)(H,74,94)(H,76,88)(H,77,89)(H,78,91)(H,79,90)(H,80,93)(H,81,95)(H,82,92)(H4,69,70,72)/t47-,48-,49-,50-,51+,52-,53-,54-,55-/m0/s1
Affinity DataKi:  1.41nMMore data for this Ligand-Target Pair