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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NPY2R' and Ligand = 'BDBM85377'   
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
NPY2R


(GUINEA PIG)
BDBM85377
PNG
(NPY5-24, Ahx)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C101H160N32O24/c1-8-55(6)81(96(155)128-74(49-78(105)140)90(149)125-71(44-53(2)3)91(150)130-80(54(4)5)95(154)132-82(56(7)135)97(156)123-68(21-16-42-117-101(111)112)86(145)122-69(36-37-77(104)139)88(147)121-67(20-15-41-116-100(109)110)87(146)124-70(83(106)142)46-58-26-32-62(137)33-27-58)131-92(151)72(47-59-28-34-63(138)35-29-59)126-89(148)73(48-60-50-113-52-118-60)127-85(144)66(19-14-40-115-99(107)108)119-79(141)23-10-9-13-39-114-84(143)65(18-11-12-38-102)120-93(152)75(51-134)129-94(153)76-22-17-43-133(76)98(157)64(103)45-57-24-30-61(136)31-25-57/h24-35,50,52-56,64-76,80-82,134-138H,8-23,36-49,51,102-103H2,1-7H3,(H2,104,139)(H2,105,140)(H2,106,142)(H,113,118)(H,114,143)(H,119,141)(H,120,152)(H,121,147)(H,122,145)(H,123,156)(H,124,146)(H,125,149)(H,126,148)(H,127,144)(H,128,155)(H,129,153)(H,130,150)(H,131,151)(H,132,154)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t55-,56+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-,81-,82-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.181n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair