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BDBM50013341 CHEMBL2372600::CHEMBL3349629

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)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O)-[#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@H](-[#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)C([#6])([#6])[#16]

InChI Key: InChIKey=QVTKGYKEYRBLMY-RKJZZMMBSA-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 = 50013341   
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)
BDBM50013341
PNG
(CHEMBL2372600 | CHEMBL3349629)
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](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)C(C)(C)S
Show InChI InChI=1S/C105H161N33O34S/c1-10-52(5)81(137-91(160)61(27-20-36-116-103(112)113)127-94(163)67(42-79(149)150)129-97(166)82(53(6)11-2)138-90(159)59(25-18-34-114-101(108)109)123-76(146)45-117-74(144)44-118-86(155)64(38-55-21-14-12-15-22-55)134-104(172)135-69(100(170)171)43-80(151)152)96(165)121-46-75(145)122-54(7)84(153)125-62(32-33-72(106)142)89(158)132-70(49-139)87(156)120-47-77(147)124-63(37-51(3)4)85(154)119-48-78(148)136-83(105(8,9)173)98(167)130-66(41-73(107)143)93(162)133-71(50-140)95(164)128-65(39-56-23-16-13-17-24-56)92(161)126-60(26-19-35-115-102(110)111)88(157)131-68(99(168)169)40-57-28-30-58(141)31-29-57/h12-17,21-24,28-31,51-54,59-71,81-83,139-141,173H,10-11,18-20,25-27,32-50H2,1-9H3,(H2,106,142)(H2,107,143)(H,117,144)(H,118,155)(H,119,154)(H,120,156)(H,121,165)(H,122,145)(H,123,146)(H,124,147)(H,125,153)(H,126,161)(H,127,163)(H,128,164)(H,129,166)(H,130,167)(H,131,157)(H,132,158)(H,133,162)(H,136,148)(H,137,160)(H,138,159)(H,149,150)(H,151,152)(H,168,169)(H,170,171)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)(H2,134,135,172)/t52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70+,71-,81-,82-,83+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.350n/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)
BDBM50013341
PNG
(CHEMBL2372600 | CHEMBL3349629)
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](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)C(C)(C)S
Show InChI InChI=1S/C105H161N33O34S/c1-10-52(5)81(137-91(160)61(27-20-36-116-103(112)113)127-94(163)67(42-79(149)150)129-97(166)82(53(6)11-2)138-90(159)59(25-18-34-114-101(108)109)123-76(146)45-117-74(144)44-118-86(155)64(38-55-21-14-12-15-22-55)134-104(172)135-69(100(170)171)43-80(151)152)96(165)121-46-75(145)122-54(7)84(153)125-62(32-33-72(106)142)89(158)132-70(49-139)87(156)120-47-77(147)124-63(37-51(3)4)85(154)119-48-78(148)136-83(105(8,9)173)98(167)130-66(41-73(107)143)93(162)133-71(50-140)95(164)128-65(39-56-23-16-13-17-24-56)92(161)126-60(26-19-35-115-102(110)111)88(157)131-68(99(168)169)40-57-28-30-58(141)31-29-57/h12-17,21-24,28-31,51-54,59-71,81-83,139-141,173H,10-11,18-20,25-27,32-50H2,1-9H3,(H2,106,142)(H2,107,143)(H,117,144)(H,118,155)(H,119,154)(H,120,156)(H,121,165)(H,122,145)(H,123,146)(H,124,147)(H,125,153)(H,126,161)(H,127,163)(H,128,164)(H,129,166)(H,130,167)(H,131,157)(H,132,158)(H,133,162)(H,136,148)(H,137,160)(H,138,159)(H,149,150)(H,151,152)(H,168,169)(H,170,171)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)(H2,134,135,172)/t52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70+,71-,81-,82-,83+/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