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BDBM50091749 CHEMBL412793::Cyclic-(Cys-Phe-Gly-Gly-Arg-Ala-Asp-Arg-Ile-Gly-Ala-Gln-Ser-Gly-Leu-Gly-Cys)

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(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)=O

InChI Key: InChIKey=MCHMSEFZIGFZBO-BZZMOAOGSA-N

Data: 2 KI

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 = 50091749   
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


(Homo sapiens)
BDBM50091749
PNG
(CHEMBL412793 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ala-Asp...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(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)=O
Show InChI InChI=1S/C67H108N24O22S2/c1-7-33(4)53-64(111)80-26-48(95)81-34(5)54(101)86-40(17-18-46(69)93)61(108)90-44(29-92)59(106)79-27-50(97)84-41(21-32(2)3)57(104)78-28-51(98)85-45(65(112)113)31-115-114-30-37(68)56(103)89-42(22-36-13-9-8-10-14-36)58(105)77-24-47(94)76-25-49(96)83-38(15-11-19-74-66(70)71)60(107)82-35(6)55(102)88-43(23-52(99)100)63(110)87-39(62(109)91-53)16-12-20-75-67(72)73/h8-10,13-14,32-35,37-45,53,92H,7,11-12,15-31,68H2,1-6H3,(H2,69,93)(H,76,94)(H,77,105)(H,78,104)(H,79,106)(H,80,111)(H,81,95)(H,82,107)(H,83,96)(H,84,97)(H,85,98)(H,86,101)(H,87,110)(H,88,102)(H,89,103)(H,90,108)(H,91,109)(H,99,100)(H,112,113)(H4,70,71,74)(H4,72,73,75)/t33-,34-,35-,37+,38-,39-,40-,41-,42-,43-,44-,45+,53-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
360n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50091749
PNG
(CHEMBL412793 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ala-Asp...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(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)=O
Show InChI InChI=1S/C67H108N24O22S2/c1-7-33(4)53-64(111)80-26-48(95)81-34(5)54(101)86-40(17-18-46(69)93)61(108)90-44(29-92)59(106)79-27-50(97)84-41(21-32(2)3)57(104)78-28-51(98)85-45(65(112)113)31-115-114-30-37(68)56(103)89-42(22-36-13-9-8-10-14-36)58(105)77-24-47(94)76-25-49(96)83-38(15-11-19-74-66(70)71)60(107)82-35(6)55(102)88-43(23-52(99)100)63(110)87-39(62(109)91-53)16-12-20-75-67(72)73/h8-10,13-14,32-35,37-45,53,92H,7,11-12,15-31,68H2,1-6H3,(H2,69,93)(H,76,94)(H,77,105)(H,78,104)(H,79,106)(H,80,111)(H,81,95)(H,82,107)(H,83,96)(H,84,97)(H,85,98)(H,86,101)(H,87,110)(H,88,102)(H,89,103)(H,90,108)(H,91,109)(H,99,100)(H,112,113)(H4,70,71,74)(H4,72,73,75)/t33-,34-,35-,37+,38-,39-,40-,41-,42-,43-,44-,45+,53-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
360n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.


Citation and Details
More data for this
Ligand-Target Pair