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BDBM50228710 CHEMBL3349899

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

InChI Key: InChIKey=HEZIQDLPGIHFDN-CSTIFMARSA-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 = 50228710   
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)
BDBM50228710
PNG
(CHEMBL3349899)
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](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)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C122H193N41O38S2/c1-10-61(7)95-116(198)142-49-90(173)143-63(9)97(179)147-73(34-35-87(124)170)104(186)157-81(53-165)101(183)141-50-92(175)145-74(40-59(3)4)99(181)140-51-93(176)146-85(114(196)154-78(45-88(125)171)109(191)159-82(54-166)111(193)153-77(43-65-24-16-13-17-25-65)108(190)149-70(27-19-37-135-120(128)129)102(184)156-80(118(200)201)44-66-30-32-67(169)33-31-66)57-202-203-58-86(161-113(195)84(56-168)160-112(194)83(55-167)158-103(185)71(28-20-38-136-121(130)131)148-107(189)75(41-60(5)6)151-98(180)68(123)52-164)115(197)152-76(42-64-22-14-12-15-23-64)100(182)139-47-89(172)138-48-91(174)144-69(26-18-36-134-119(126)127)105(187)163-96(62(8)11-2)117(199)155-79(46-94(177)178)110(192)150-72(106(188)162-95)29-21-39-137-122(132)133/h12-17,22-25,30-33,59-63,68-86,95-96,164-169H,10-11,18-21,26-29,34-58,123H2,1-9H3,(H2,124,170)(H2,125,171)(H,138,172)(H,139,182)(H,140,181)(H,141,183)(H,142,198)(H,143,173)(H,144,174)(H,145,175)(H,146,176)(H,147,179)(H,148,189)(H,149,190)(H,150,192)(H,151,180)(H,152,197)(H,153,193)(H,154,196)(H,155,199)(H,156,184)(H,157,186)(H,158,185)(H,159,191)(H,160,194)(H,161,195)(H,162,188)(H,163,187)(H,177,178)(H,200,201)(H4,126,127,134)(H4,128,129,135)(H4,130,131,136)(H4,132,133,137)/t61-,62-,63-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,95-,96-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.130n/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)
BDBM50228710
PNG
(CHEMBL3349899)
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](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)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C122H193N41O38S2/c1-10-61(7)95-116(198)142-49-90(173)143-63(9)97(179)147-73(34-35-87(124)170)104(186)157-81(53-165)101(183)141-50-92(175)145-74(40-59(3)4)99(181)140-51-93(176)146-85(114(196)154-78(45-88(125)171)109(191)159-82(54-166)111(193)153-77(43-65-24-16-13-17-25-65)108(190)149-70(27-19-37-135-120(128)129)102(184)156-80(118(200)201)44-66-30-32-67(169)33-31-66)57-202-203-58-86(161-113(195)84(56-168)160-112(194)83(55-167)158-103(185)71(28-20-38-136-121(130)131)148-107(189)75(41-60(5)6)151-98(180)68(123)52-164)115(197)152-76(42-64-22-14-12-15-23-64)100(182)139-47-89(172)138-48-91(174)144-69(26-18-36-134-119(126)127)105(187)163-96(62(8)11-2)117(199)155-79(46-94(177)178)110(192)150-72(106(188)162-95)29-21-39-137-122(132)133/h12-17,22-25,30-33,59-63,68-86,95-96,164-169H,10-11,18-21,26-29,34-58,123H2,1-9H3,(H2,124,170)(H2,125,171)(H,138,172)(H,139,182)(H,140,181)(H,141,183)(H,142,198)(H,143,173)(H,144,174)(H,145,175)(H,146,176)(H,147,179)(H,148,189)(H,149,190)(H,150,192)(H,151,180)(H,152,197)(H,153,193)(H,154,196)(H,155,199)(H,156,184)(H,157,186)(H,158,185)(H,159,191)(H,160,194)(H,161,195)(H,162,188)(H,163,187)(H,177,178)(H,200,201)(H4,126,127,134)(H4,128,129,135)(H4,130,131,136)(H4,132,133,137)/t61-,62-,63-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,95-,96-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0430n/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