BDBM84702 nafarelin 3NMe1Nal

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)N(C)C(=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=IBFCEQSVNXWAMM-ZPFAOGKNSA-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 = 84702   

TargetProgonadoliberin-1(RAT)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM84702(nafarelin 3NMe1Nal)
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)N(C)C(=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/C69H86N16O13/c1-39(2)29-51(61(91)78-50(17-9-27-74-69(71)72)68(98)85-28-10-18-56(85)65(95)75-36-58(70)88)79-63(93)53(32-41-19-22-42-11-4-5-13-44(42)30-41)80-62(92)52(31-40-20-23-47(87)24-21-40)81-64(94)55(37-86)83-66(96)57(33-45-15-8-14-43-12-6-7-16-48(43)45)84(3)67(97)54(34-46-35-73-38-76-46)82-60(90)49-25-26-59(89)77-49/h4-8,11-16,19-24,30,35,38-39,49-57,86-87H,9-10,17-18,25-29,31-34,36-37H2,1-3H3,(H2,70,88)(H,73,76)(H,75,95)(H,77,89)(H,78,91)(H,79,93)(H,80,92)(H,81,94)(H,82,90)(H,83,96)(H4,71,72,74)/t49-,50-,51-,52-,53+,54-,55-,56-,57-/m0/s1
Affinity DataKi:  0.740nMMore data for this Ligand-Target Pair