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BDBM50013340 CHEMBL2372597::CHEMBL3349626

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O)-[#6](-[#8])=O

InChI Key: InChIKey=IQVLEFRMMNCKAU-NCPYEHSYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013340   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM50013340
PNG
(CHEMBL2372597 | CHEMBL3349626)
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)[C@@H](N)CS)[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)NC(=O)N[C@@H](CC(=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)C(O)=O
Show InChI InChI=1S/C103H158N34O33S/c1-8-51(5)81(136-91(159)61(25-18-34-115-102(111)112)127-94(162)67(41-80(149)150)130-97(165)82(52(6)9-2)137-90(158)59(23-16-32-113-100(107)108)122-77(146)43-116-75(144)42-117-86(154)64(128-84(152)58(104)49-171)36-54-19-12-10-13-20-54)96(164)120-44-76(145)121-53(7)83(151)125-62(30-31-72(105)141)89(157)132-70(47-138)87(155)119-45-78(147)124-63(35-50(3)4)85(153)118-46-79(148)135-103(170)134-69(99(168)169)40-74(143)123-66(39-73(106)142)93(161)133-71(48-139)95(163)129-65(37-55-21-14-11-15-22-55)92(160)126-60(24-17-33-114-101(109)110)88(156)131-68(98(166)167)38-56-26-28-57(140)29-27-56/h10-15,19-22,26-29,50-53,58-71,81-82,138-140,171H,8-9,16-18,23-25,30-49,104H2,1-7H3,(H2,105,141)(H2,106,142)(H,116,144)(H,117,154)(H,118,153)(H,119,155)(H,120,164)(H,121,145)(H,122,146)(H,123,143)(H,124,147)(H,125,151)(H,126,160)(H,127,162)(H,128,152)(H,129,163)(H,130,165)(H,131,156)(H,132,157)(H,133,161)(H,136,159)(H,137,158)(H,149,150)(H,166,167)(H,168,169)(H4,107,108,113)(H4,109,110,114)(H4,111,112,115)(H2,134,135,148,170)/t51-,52-,53-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70+,71-,81-,82-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.210n/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 onmouse fibroblasts (NIH 3T3) cells (Atrionatriur...


J Med Chem 33: 661-7 (1990)


Article DOI: 10.1021/jm00164a031
BindingDB Entry DOI: 10.7270/Q2251JS8
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor B


(Bos taurus)
BDBM50013340
PNG
(CHEMBL2372597 | CHEMBL3349626)
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)[C@@H](N)CS)[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)NC(=O)N[C@@H](CC(=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)C(O)=O
Show InChI InChI=1S/C103H158N34O33S/c1-8-51(5)81(136-91(159)61(25-18-34-115-102(111)112)127-94(162)67(41-80(149)150)130-97(165)82(52(6)9-2)137-90(158)59(23-16-32-113-100(107)108)122-77(146)43-116-75(144)42-117-86(154)64(128-84(152)58(104)49-171)36-54-19-12-10-13-20-54)96(164)120-44-76(145)121-53(7)83(151)125-62(30-31-72(105)141)89(157)132-70(47-138)87(155)119-45-78(147)124-63(35-50(3)4)85(153)118-46-79(148)135-103(170)134-69(99(168)169)40-74(143)123-66(39-73(106)142)93(161)133-71(48-139)95(163)129-65(37-55-21-14-11-15-22-55)92(160)126-60(24-17-33-114-101(109)110)88(156)131-68(98(166)167)38-56-26-28-57(140)29-27-56/h10-15,19-22,26-29,50-53,58-71,81-82,138-140,171H,8-9,16-18,23-25,30-49,104H2,1-7H3,(H2,105,141)(H2,106,142)(H,116,144)(H,117,154)(H,118,153)(H,119,155)(H,120,164)(H,121,145)(H,122,146)(H,123,143)(H,124,147)(H,125,151)(H,126,160)(H,127,162)(H,128,152)(H,129,163)(H,130,165)(H,131,156)(H,132,157)(H,133,161)(H,136,159)(H,137,158)(H,149,150)(H,166,167)(H,168,169)(H4,107,108,113)(H4,109,110,114)(H4,111,112,115)(H2,134,135,148,170)/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

Article
PubMed
n/an/a 7.80n/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...


J Med Chem 33: 661-7 (1990)


Article DOI: 10.1021/jm00164a031
BindingDB Entry DOI: 10.7270/Q2251JS8
More data for this
Ligand-Target Pair