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BDBM50091750 CHEMBL415133::Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Ala-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](C)NC(=O)[C@@H](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)[C@@H](C)CC

InChI Key: InChIKey=BFCFDUDISIBVNN-BVXMOABCSA-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 = 50091750   
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)
BDBM50091750
PNG
(CHEMBL415133 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Ala...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](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)[C@@H](C)CC
Show InChI InChI=1S/C69H114N24O20S2/c1-9-35(5)54-65(110)82-28-50(97)83-37(7)56(101)89-43(20-21-48(71)95)62(107)91-46(31-94)61(106)81-29-52(99)86-44(24-34(3)4)59(104)80-30-53(100)87-47(67(112)113)33-115-114-32-40(70)58(103)90-45(25-39-16-12-11-13-17-39)60(105)79-26-49(96)78-27-51(98)85-41(18-14-22-76-68(72)73)63(108)93-55(36(6)10-2)66(111)84-38(8)57(102)88-42(64(109)92-54)19-15-23-77-69(74)75/h11-13,16-17,34-38,40-47,54-55,94H,9-10,14-15,18-33,70H2,1-8H3,(H2,71,95)(H,78,96)(H,79,105)(H,80,104)(H,81,106)(H,82,110)(H,83,97)(H,84,111)(H,85,98)(H,86,99)(H,87,100)(H,88,102)(H,89,101)(H,90,103)(H,91,107)(H,92,109)(H,93,108)(H,112,113)(H4,72,73,76)(H4,74,75,77)/t35-,36-,37-,38-,40+,41-,42-,43-,44-,45-,46-,47+,54-,55-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
87n/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)
BDBM50091750
PNG
(CHEMBL415133 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Ala...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](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)[C@@H](C)CC
Show InChI InChI=1S/C69H114N24O20S2/c1-9-35(5)54-65(110)82-28-50(97)83-37(7)56(101)89-43(20-21-48(71)95)62(107)91-46(31-94)61(106)81-29-52(99)86-44(24-34(3)4)59(104)80-30-53(100)87-47(67(112)113)33-115-114-32-40(70)58(103)90-45(25-39-16-12-11-13-17-39)60(105)79-26-49(96)78-27-51(98)85-41(18-14-22-76-68(72)73)63(108)93-55(36(6)10-2)66(111)84-38(8)57(102)88-42(64(109)92-54)19-15-23-77-69(74)75/h11-13,16-17,34-38,40-47,54-55,94H,9-10,14-15,18-33,70H2,1-8H3,(H2,71,95)(H,78,96)(H,79,105)(H,80,104)(H,81,106)(H,82,110)(H,83,97)(H,84,111)(H,85,98)(H,86,99)(H,87,100)(H,88,102)(H,89,101)(H,90,103)(H,91,107)(H,92,109)(H,93,108)(H,112,113)(H4,72,73,76)(H4,74,75,77)/t35-,36-,37-,38-,40+,41-,42-,43-,44-,45-,46-,47+,54-,55-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
87n/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