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BDBM50010703 CHEMBL443068::H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-Arg-Pro-Lys-Leu-Cys-NH2

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O

InChI Key: InChIKey=CIDXGGKDEWZDBR-ZOOWYRFPSA-N

Data: 5 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 5 hits for monomerid = 50010703   
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
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010703
PNG
(CHEMBL443068 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-A...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.986n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in guinea pig brain homogenate using [3H]- PL-17 as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010703
PNG
(CHEMBL443068 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-A...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0740n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Opioid receptor


(Mus musculus (Mouse)-MOUSE)
BDBM50010703
PNG
(CHEMBL443068 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-A...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Opioid receptors antagonist activity in smooth-muscle tissue mouse vas deferens (MVD)


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50010703
PNG
(CHEMBL443068 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-A...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
PDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Opioid receptors antagonist activity in smooth-muscle tissue of guinea pig ileum (GPI)


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010703
PNG
(CHEMBL443068 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Cys-A...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C69H112N24O14S2/c1-38(2)30-48(90-63(104)50(33-40-14-6-5-7-15-40)84-55(96)35-82-54(95)34-83-57(98)43(71)32-41-21-23-42(94)24-22-41)61(102)86-45(17-10-26-79-67(73)74)58(99)85-46(18-11-27-80-68(75)76)60(101)92-52-37-109-108-36-51(56(72)97)91-62(103)49(31-39(3)4)89-59(100)44(16-8-9-25-70)87-65(106)53-20-13-29-93(53)66(107)47(88-64(52)105)19-12-28-81-69(77)78/h5-7,14-15,21-24,38-39,43-53,94H,8-13,16-20,25-37,70-71H2,1-4H3,(H2,72,97)(H,82,95)(H,83,98)(H,84,96)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,100)(H,90,104)(H,91,103)(H,92,101)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in guinea pig brain homogenate using [3H]- DPDPE as radioligand


J Med Chem 33: 1874-9 (1990)


Article DOI: 10.1021/jm00169a007
BindingDB Entry DOI: 10.7270/Q2FB51XH
More data for this
Ligand-Target Pair