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BDBM50228711 CHEMBL3349900

SMILES: [H][C@]1([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)[C@@]([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]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6]1=O)-[#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@@H](-[#6])-[#6]-[#6])[#6@@H](-[#6])-[#6]-[#6]

InChI Key: InChIKey=KRQONCIVYDQIBQ-MZEVGAHSSA-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 = 50228711   
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 C


(Mus musculus)
BDBM50228711
PNG
(CHEMBL3349900)
Show SMILES CC[C@H](C)[C@@H]1NC(=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](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)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@@H](C)CC
Show InChI InChI=1S/C101H155N33O30S2/c1-8-51(5)80-96(161)118-43-75(141)119-53(7)82(147)123-62(30-31-72(103)138)88(153)131-69(46-135)86(151)117-44-77(143)121-63(35-50(3)4)84(149)116-45-78(144)122-71(95(160)128-66(39-73(104)139)92(157)132-70(47-136)94(159)127-65(37-55-21-14-11-15-22-55)91(156)124-60(24-17-33-112-100(107)108)87(152)130-68(98(163)164)38-56-26-28-57(137)29-27-56)49-166-165-48-58(102)83(148)126-64(36-54-19-12-10-13-20-54)85(150)115-41-74(140)114-42-76(142)120-59(23-16-32-111-99(105)106)89(154)134-81(52(6)9-2)97(162)129-67(40-79(145)146)93(158)125-61(90(155)133-80)25-18-34-113-101(109)110/h10-15,19-22,26-29,50-53,58-71,80-81,135-137H,8-9,16-18,23-25,30-49,102H2,1-7H3,(H2,103,138)(H2,104,139)(H,114,140)(H,115,150)(H,116,149)(H,117,151)(H,118,161)(H,119,141)(H,120,142)(H,121,143)(H,122,144)(H,123,147)(H,124,156)(H,125,158)(H,126,148)(H,127,159)(H,128,160)(H,129,162)(H,130,152)(H,131,153)(H,132,157)(H,133,155)(H,134,154)(H,145,146)(H,163,164)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52-,53-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,80-,81-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/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 mouse fibroblasts (NIH 3T3) cells (Atrionatriu...


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)
BDBM50228711
PNG
(CHEMBL3349900)
Show SMILES CC[C@H](C)[C@@H]1NC(=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](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)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@@H](C)CC
Show InChI InChI=1S/C101H155N33O30S2/c1-8-51(5)80-96(161)118-43-75(141)119-53(7)82(147)123-62(30-31-72(103)138)88(153)131-69(46-135)86(151)117-44-77(143)121-63(35-50(3)4)84(149)116-45-78(144)122-71(95(160)128-66(39-73(104)139)92(157)132-70(47-136)94(159)127-65(37-55-21-14-11-15-22-55)91(156)124-60(24-17-33-112-100(107)108)87(152)130-68(98(163)164)38-56-26-28-57(137)29-27-56)49-166-165-48-58(102)83(148)126-64(36-54-19-12-10-13-20-54)85(150)115-41-74(140)114-42-76(142)120-59(23-16-32-111-99(105)106)89(154)134-81(52(6)9-2)97(162)129-67(40-79(145)146)93(158)125-61(90(155)133-80)25-18-34-113-101(109)110/h10-15,19-22,26-29,50-53,58-71,80-81,135-137H,8-9,16-18,23-25,30-49,102H2,1-7H3,(H2,103,138)(H2,104,139)(H,114,140)(H,115,150)(H,116,149)(H,117,151)(H,118,161)(H,119,141)(H,120,142)(H,121,143)(H,122,144)(H,123,147)(H,124,156)(H,125,158)(H,126,148)(H,127,159)(H,128,160)(H,129,162)(H,130,152)(H,131,153)(H,132,157)(H,133,155)(H,134,154)(H,145,146)(H,163,164)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52-,53-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,80-,81-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/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