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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atrial natriuretic peptide receptor B' and Ligand = 'BDBM50013344'   
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
Atrial natriuretic peptide receptor B


(Bos taurus)
BDBM50013344
PNG
(CHEMBL2372599)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C103H157N33O34S/c1-8-51(5)81(135-90(158)60(25-18-34-114-102(110)111)126-93(161)66(40-79(147)148)129-97(165)82(52(6)9-2)136-89(157)58(23-16-32-112-100(106)107)121-76(144)43-115-74(142)42-116-85(153)63(36-54-19-12-10-13-20-54)133-103(170)134-68(99(168)169)41-80(149)150)96(164)119-44-75(143)120-53(7)83(151)124-61(30-31-72(104)140)88(156)131-69(47-137)86(154)118-45-77(145)122-62(35-50(3)4)84(152)117-46-78(146)123-71(49-171)95(163)128-65(39-73(105)141)92(160)132-70(48-138)94(162)127-64(37-55-21-14-11-15-22-55)91(159)125-59(24-17-33-113-101(108)109)87(155)130-67(98(166)167)38-56-26-28-57(139)29-27-56/h10-15,19-22,26-29,50-53,58-71,81-82,137-139,171H,8-9,16-18,23-25,30-49H2,1-7H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,153)(H,117,152)(H,118,154)(H,119,164)(H,120,143)(H,121,144)(H,122,145)(H,123,146)(H,124,151)(H,125,159)(H,126,161)(H,127,162)(H,128,163)(H,129,165)(H,130,155)(H,131,156)(H,132,160)(H,135,158)(H,136,157)(H,147,148)(H,149,150)(H,166,167)(H,168,169)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)(H2,133,134,170)/t51-,52-,53-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,81-,82-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.20n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on bovine adrenal zona glomerulosa cell membranes...


Citation and Details
More data for this
Ligand-Target Pair