BindingDB logo
myBDB logout

PubMed code 11212109

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096730
PNG
(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C48H64F3N7O14/c1-25(2)21-31(42(68)57-34(24-48(49,50)51)39(66)45(71)52-27(4)28-14-9-8-10-15-28)56-46(72)40(47(5,6)7)58-44(70)32(22-29-16-12-11-13-26(29)3)55-41(67)30(17-19-36(60)61)54-43(69)33(23-38(64)65)53-35(59)18-20-37(62)63/h8-16,25,27,30-34,40H,17-24H2,1-7H3,(H,52,71)(H,53,59)(H,54,69)(H,55,67)(H,56,72)(H,57,68)(H,58,70)(H,60,61)(H,62,63)(H,64,65)/t27-,30-,31-,32-,33-,34+,40+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096729
PNG
((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Benzylaminooxaly...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C47H62F3N7O14/c1-25(2)20-30(41(67)56-33(23-47(48,49)50)38(65)44(70)51-24-27-13-8-7-9-14-27)55-45(71)39(46(4,5)6)57-43(69)31(21-28-15-11-10-12-26(28)3)54-40(66)29(16-18-35(59)60)53-42(68)32(22-37(63)64)52-34(58)17-19-36(61)62/h7-15,25,29-33,39H,16-24H2,1-6H3,(H,51,70)(H,52,58)(H,53,68)(H,54,66)(H,55,71)(H,56,67)(H,57,69)(H,59,60)(H,61,62)(H,63,64)/t29-,30-,31-,32-,33+,39+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096726
PNG
(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)N[C@@H](C)c1ccc2ccccc2c1
Show InChI InChI=1S/C52H66F3N7O14/c1-27(2)22-35(46(72)61-38(26-52(53,54)55)43(70)49(75)56-29(4)32-17-16-30-13-10-11-15-33(30)23-32)60-50(76)44(51(5,6)7)62-48(74)36(24-31-14-9-8-12-28(31)3)59-45(71)34(18-20-40(64)65)58-47(73)37(25-42(68)69)57-39(63)19-21-41(66)67/h8-17,23,27,29,34-38,44H,18-22,24-26H2,1-7H3,(H,56,75)(H,57,63)(H,58,73)(H,59,71)(H,60,76)(H,61,72)(H,62,74)(H,64,65)(H,66,67)(H,68,69)/t29-,34-,35-,36-,37-,38+,44+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096734
PNG
((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)NCc1ccc(O)cc1
Show InChI InChI=1S/C47H62F3N7O15/c1-24(2)19-30(41(68)56-33(22-47(48,49)50)38(66)44(71)51-23-26-11-13-28(58)14-12-26)55-45(72)39(46(4,5)6)57-43(70)31(20-27-10-8-7-9-25(27)3)54-40(67)29(15-17-35(60)61)53-42(69)32(21-37(64)65)52-34(59)16-18-36(62)63/h7-14,24,29-33,39,58H,15-23H2,1-6H3,(H,51,71)(H,52,59)(H,53,69)(H,54,67)(H,55,72)(H,56,68)(H,57,70)(H,60,61)(H,62,63)(H,64,65)/t29-,30-,31-,32-,33+,39+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096727
PNG
((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...)
Show SMILES COc1cccc(CNC(=O)C(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)c1
Show InChI InChI=1S/C48H64F3N7O15/c1-25(2)19-31(42(68)57-34(23-48(49,50)51)39(66)45(71)52-24-27-12-10-14-29(20-27)73-7)56-46(72)40(47(4,5)6)58-44(70)32(21-28-13-9-8-11-26(28)3)55-41(67)30(15-17-36(60)61)54-43(69)33(22-38(64)65)53-35(59)16-18-37(62)63/h8-14,20,25,30-34,40H,15-19,21-24H2,1-7H3,(H,52,71)(H,53,59)(H,54,69)(H,55,67)(H,56,72)(H,57,68)(H,58,70)(H,60,61)(H,62,63)(H,64,65)/t30-,31-,32-,33-,34+,40+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096725
PNG
(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)N[C@@H](C(C)C)c1ccccc1
Show InChI InChI=1S/C50H68F3N7O14/c1-26(2)22-32(44(70)58-35(25-50(51,52)53)41(68)47(73)59-40(27(3)4)29-15-10-9-11-16-29)57-48(74)42(49(6,7)8)60-46(72)33(23-30-17-13-12-14-28(30)5)56-43(69)31(18-20-37(62)63)55-45(71)34(24-39(66)67)54-36(61)19-21-38(64)65/h9-17,26-27,31-35,40,42H,18-25H2,1-8H3,(H,54,61)(H,55,71)(H,56,69)(H,57,74)(H,58,70)(H,59,73)(H,60,72)(H,62,63)(H,64,65)(H,66,67)/t31-,32-,33-,34-,35+,40-,42+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against delta receptor of (endomorphin 2) in mouse vas deferens was determined

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096728
PNG
((S)-4-((S)-1-{(S)-1-[(S)-1-((S)-1-Amino-2-carbamoy...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](N)C(=O)C(N)=O
Show InChI InChI=1S/C38H56N8O14/c1-18(2)15-22(36(59)46-31(39)29(54)32(40)55)44-37(60)30(38(4,5)6)45-35(58)23(16-20-10-8-7-9-19(20)3)43-33(56)21(11-13-26(48)49)42-34(57)24(17-28(52)53)41-25(47)12-14-27(50)51/h7-10,18,21-24,30-31H,11-17,39H2,1-6H3,(H2,40,55)(H,41,47)(H,42,57)(H,43,56)(H,44,60)(H,45,58)(H,46,59)(H,48,49)(H,50,51)(H,52,53)/t21-,22-,23-,24-,30+,31-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096733
PNG
(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Show SMILES CC[C@H](NC(=O)C(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C49H66F3N7O14/c1-8-30(28-15-10-9-11-16-28)54-46(72)40(67)35(25-49(50,51)52)58-43(69)32(22-26(2)3)57-47(73)41(48(5,6)7)59-45(71)33(23-29-17-13-12-14-27(29)4)56-42(68)31(18-20-37(61)62)55-44(70)34(24-39(65)66)53-36(60)19-21-38(63)64/h9-17,26,30-35,41H,8,18-25H2,1-7H3,(H,53,60)(H,54,72)(H,55,70)(H,56,68)(H,57,73)(H,58,69)(H,59,71)(H,61,62)(H,63,64)(H,65,66)/t30-,31-,32-,33-,34-,35+,41+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096732
PNG
(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Show SMILES CC[C@H](NC(=O)C(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)c1ccc2ccccc2c1
Show InChI InChI=1S/C53H68F3N7O14/c1-8-34(33-18-17-30-14-11-12-16-32(30)24-33)58-50(76)44(71)39(27-53(54,55)56)62-47(73)36(23-28(2)3)61-51(77)45(52(5,6)7)63-49(75)37(25-31-15-10-9-13-29(31)4)60-46(72)35(19-21-41(65)66)59-48(74)38(26-43(69)70)57-40(64)20-22-42(67)68/h9-18,24,28,34-39,45H,8,19-23,25-27H2,1-7H3,(H,57,64)(H,58,76)(H,59,74)(H,60,72)(H,61,77)(H,62,73)(H,63,75)(H,65,66)(H,67,68)(H,69,70)/t34-,35-,36-,37-,38-,39+,45+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 8n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096724
PNG
((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...)
Show SMILES CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C42H63N7O14/c1-8-9-14-25(34(57)36(43)58)45-38(60)27(19-22(2)3)48-41(63)35(42(5,6)7)49-40(62)28(20-24-13-11-10-12-23(24)4)47-37(59)26(15-17-31(51)52)46-39(61)29(21-33(55)56)44-30(50)16-18-32(53)54/h10-13,22,25-29,35H,8-9,14-21H2,1-7H3,(H2,43,58)(H,44,50)(H,45,60)(H,46,61)(H,47,59)(H,48,63)(H,49,62)(H,51,52)(H,53,54)(H,55,56)/t25-,26+,27+,28+,29+,35-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 11n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50096724
PNG
((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...)
Show SMILES CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C42H63N7O14/c1-8-9-14-25(34(57)36(43)58)45-38(60)27(19-22(2)3)48-41(63)35(42(5,6)7)49-40(62)28(20-24-13-11-10-12-23(24)4)47-37(59)26(15-17-31(51)52)46-39(61)29(21-33(55)56)44-30(50)16-18-32(53)54/h10-13,22,25-29,35H,8-9,14-21H2,1-7H3,(H2,43,58)(H,44,50)(H,45,60)(H,46,61)(H,47,59)(H,48,63)(H,49,62)(H,51,52)(H,53,54)(H,55,56)/t25-,26+,27+,28+,29+,35-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 300n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Serine protease chymotrypsin

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50096731
PNG
(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)N[C@H](CC(F)(F)F)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C48H64F3N7O14/c1-25(2)21-31(42(68)57-34(24-48(49,50)51)39(66)45(71)52-27(4)28-14-9-8-10-15-28)56-46(72)40(47(5,6)7)58-44(70)32(22-29-16-12-11-13-26(29)3)55-41(67)30(17-19-36(60)61)54-43(69)33(23-38(64)65)53-35(59)18-20-37(62)63/h8-16,25,27,30-34,40H,17-24H2,1-7H3,(H,52,71)(H,53,59)(H,54,69)(H,55,67)(H,56,72)(H,57,68)(H,58,70)(H,60,61)(H,62,63)(H,64,65)/t27-,30+,31+,32+,33+,34-,40-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50096724
PNG
((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...)
Show SMILES CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C42H63N7O14/c1-8-9-14-25(34(57)36(43)58)45-38(60)27(19-22(2)3)48-41(63)35(42(5,6)7)49-40(62)28(20-24-13-11-10-12-23(24)4)47-37(59)26(15-17-31(51)52)46-39(61)29(21-33(55)56)44-30(50)16-18-32(53)54/h10-13,22,25-29,35H,8-9,14-21H2,1-7H3,(H2,43,58)(H,44,50)(H,45,60)(H,46,61)(H,47,59)(H,48,63)(H,49,62)(H,51,52)(H,53,54)(H,55,56)/t25-,26+,27+,28+,29+,35-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Elastase

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50096724
PNG
((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...)
Show SMILES CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C42H63N7O14/c1-8-9-14-25(34(57)36(43)58)45-38(60)27(19-22(2)3)48-41(63)35(42(5,6)7)49-40(62)28(20-24-13-11-10-12-23(24)4)47-37(59)26(15-17-31(51)52)46-39(61)29(21-33(55)56)44-30(50)16-18-32(53)54/h10-13,22,25-29,35H,8-9,14-21H2,1-7H3,(H2,43,58)(H,44,50)(H,45,60)(H,46,61)(H,47,59)(H,48,63)(H,49,62)(H,51,52)(H,53,54)(H,55,56)/t25-,26+,27+,28+,29+,35-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 of (endomorphin 2) in guinea pig ileum was determined

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%