BindingDB logo
myBDB logout

PubMed code 11270320

Compile data set for download or QSAR
Found 11 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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM85780
PNG
([(R)-Atc4, D-Ala8]Dyn A-(1-11)NH2 | [(S)-Atc4 , D-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C62H99N21O13/c1-35(2)30-46(81-58(96)62(24-23-38-12-4-5-13-39(38)32-62)82-49(86)34-74-48(85)33-75-51(88)41(64)31-37-19-21-40(84)22-20-37)54(91)78-43(16-9-27-72-60(67)68)53(90)77-42(15-8-26-71-59(65)66)52(89)76-36(3)50(87)79-44(17-10-28-73-61(69)70)56(93)83-29-11-18-47(83)55(92)80-45(57(94)95)14-6-7-25-63/h4-5,12-13,19-22,35-36,41-47,84H,6-11,14-18,23-34,63-64H2,1-3H3,(H,74,85)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,79,87)(H,80,92)(H,81,96)(H,82,86)(H,94,95)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.114n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM85780
PNG
([(R)-Atc4, D-Ala8]Dyn A-(1-11)NH2 | [(S)-Atc4 , D-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C62H99N21O13/c1-35(2)30-46(81-58(96)62(24-23-38-12-4-5-13-39(38)32-62)82-49(86)34-74-48(85)33-75-51(88)41(64)31-37-19-21-40(84)22-20-37)54(91)78-43(16-9-27-72-60(67)68)53(90)77-42(15-8-26-71-59(65)66)52(89)76-36(3)50(87)79-44(17-10-28-73-61(69)70)56(93)83-29-11-18-47(83)55(92)80-45(57(94)95)14-6-7-25-63/h4-5,12-13,19-22,35-36,41-47,84H,6-11,14-18,23-34,63-64H2,1-3H3,(H,74,85)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,79,87)(H,80,92)(H,81,96)(H,82,86)(H,94,95)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.890n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM85780
PNG
([(R)-Atc4, D-Ala8]Dyn A-(1-11)NH2 | [(S)-Atc4 , D-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C62H99N21O13/c1-35(2)30-46(81-58(96)62(24-23-38-12-4-5-13-39(38)32-62)82-49(86)34-74-48(85)33-75-51(88)41(64)31-37-19-21-40(84)22-20-37)54(91)78-43(16-9-27-72-60(67)68)53(90)77-42(15-8-26-71-59(65)66)52(89)76-36(3)50(87)79-44(17-10-28-73-61(69)70)56(93)83-29-11-18-47(83)55(92)80-45(57(94)95)14-6-7-25-63/h4-5,12-13,19-22,35-36,41-47,84H,6-11,14-18,23-34,63-64H2,1-3H3,(H,74,85)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,79,87)(H,80,92)(H,81,96)(H,82,86)(H,94,95)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM85780
PNG
([(R)-Atc4, D-Ala8]Dyn A-(1-11)NH2 | [(S)-Atc4 , D-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C62H99N21O13/c1-35(2)30-46(81-58(96)62(24-23-38-12-4-5-13-39(38)32-62)82-49(86)34-74-48(85)33-75-51(88)41(64)31-37-19-21-40(84)22-20-37)54(91)78-43(16-9-27-72-60(67)68)53(90)77-42(15-8-26-71-59(65)66)52(89)76-36(3)50(87)79-44(17-10-28-73-61(69)70)56(93)83-29-11-18-47(83)55(92)80-45(57(94)95)14-6-7-25-63/h4-5,12-13,19-22,35-36,41-47,84H,6-11,14-18,23-34,63-64H2,1-3H3,(H,74,85)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,79,87)(H,80,92)(H,81,96)(H,82,86)(H,94,95)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.57n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM85780
PNG
([(R)-Atc4, D-Ala8]Dyn A-(1-11)NH2 | [(S)-Atc4 , D-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C62H99N21O13/c1-35(2)30-46(81-58(96)62(24-23-38-12-4-5-13-39(38)32-62)82-49(86)34-74-48(85)33-75-51(88)41(64)31-37-19-21-40(84)22-20-37)54(91)78-43(16-9-27-72-60(67)68)53(90)77-42(15-8-26-71-59(65)66)52(89)76-36(3)50(87)79-44(17-10-28-73-61(69)70)56(93)83-29-11-18-47(83)55(92)80-45(57(94)95)14-6-7-25-63/h4-5,12-13,19-22,35-36,41-47,84H,6-11,14-18,23-34,63-64H2,1-3H3,(H,74,85)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,79,87)(H,80,92)(H,81,96)(H,82,86)(H,94,95)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.91n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM85782
PNG
([D-Ala8]Dyn A-(1-11)NH2)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H97N21O13/c1-34(2)29-44(80-54(90)45(31-36-13-5-4-6-14-36)75-48(84)33-72-47(83)32-73-50(86)39(62)30-37-20-22-38(82)23-21-37)53(89)77-41(17-10-26-70-59(65)66)52(88)76-40(16-9-25-69-58(63)64)51(87)74-35(3)49(85)78-42(18-11-27-71-60(67)68)56(92)81-28-12-19-46(81)55(91)79-43(57(93)94)15-7-8-24-61/h4-6,13-14,20-23,34-35,39-46,82H,7-12,15-19,24-33,61-62H2,1-3H3,(H,72,83)(H,73,86)(H,74,87)(H,75,84)(H,76,88)(H,77,89)(H,78,85)(H,79,91)(H,80,90)(H,93,94)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.53n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM85780
PNG
([(R)-Atc4, D-Ala8]Dyn A-(1-11)NH2 | [(S)-Atc4 , D-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C62H99N21O13/c1-35(2)30-46(81-58(96)62(24-23-38-12-4-5-13-39(38)32-62)82-49(86)34-74-48(85)33-75-51(88)41(64)31-37-19-21-40(84)22-20-37)54(91)78-43(16-9-27-72-60(67)68)53(90)77-42(15-8-26-71-59(65)66)52(89)76-36(3)50(87)79-44(17-10-28-73-61(69)70)56(93)83-29-11-18-47(83)55(92)80-45(57(94)95)14-6-7-25-63/h4-5,12-13,19-22,35-36,41-47,84H,6-11,14-18,23-34,63-64H2,1-3H3,(H,74,85)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,79,87)(H,80,92)(H,81,96)(H,82,86)(H,94,95)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM85779
PNG
([D-Phe4, D-Ala8]Dyn A-(1-11)NH2)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H97N21O13/c1-34(2)29-44(80-54(90)45(31-36-13-5-4-6-14-36)75-48(84)33-72-47(83)32-73-50(86)39(62)30-37-20-22-38(82)23-21-37)53(89)77-41(17-10-26-70-59(65)66)52(88)76-40(16-9-25-69-58(63)64)51(87)74-35(3)49(85)78-42(18-11-27-71-60(67)68)56(92)81-28-12-19-46(81)55(91)79-43(57(93)94)15-7-8-24-61/h4-6,13-14,20-23,34-35,39-46,82H,7-12,15-19,24-33,61-62H2,1-3H3,(H,72,83)(H,73,86)(H,74,87)(H,75,84)(H,76,88)(H,77,89)(H,78,85)(H,79,91)(H,80,90)(H,93,94)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,39+,40+,41+,42+,43+,44+,45-,46+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
88.2n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM85780
PNG
([(R)-Atc4, D-Ala8]Dyn A-(1-11)NH2 | [(S)-Atc4 , D-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C62H99N21O13/c1-35(2)30-46(81-58(96)62(24-23-38-12-4-5-13-39(38)32-62)82-49(86)34-74-48(85)33-75-51(88)41(64)31-37-19-21-40(84)22-20-37)54(91)78-43(16-9-27-72-60(67)68)53(90)77-42(15-8-26-71-59(65)66)52(89)76-36(3)50(87)79-44(17-10-28-73-61(69)70)56(93)83-29-11-18-47(83)55(92)80-45(57(94)95)14-6-7-25-63/h4-5,12-13,19-22,35-36,41-47,84H,6-11,14-18,23-34,63-64H2,1-3H3,(H,74,85)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,79,87)(H,80,92)(H,81,96)(H,82,86)(H,94,95)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
146n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM85779
PNG
([D-Phe4, D-Ala8]Dyn A-(1-11)NH2)
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](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H97N21O13/c1-34(2)29-44(80-54(90)45(31-36-13-5-4-6-14-36)75-48(84)33-72-47(83)32-73-50(86)39(62)30-37-20-22-38(82)23-21-37)53(89)77-41(17-10-26-70-59(65)66)52(88)76-40(16-9-25-69-58(63)64)51(87)74-35(3)49(85)78-42(18-11-27-71-60(67)68)56(92)81-28-12-19-46(81)55(91)79-43(57(93)94)15-7-8-24-61/h4-6,13-14,20-23,34-35,39-46,82H,7-12,15-19,24-33,61-62H2,1-3H3,(H,72,83)(H,73,86)(H,74,87)(H,75,84)(H,76,88)(H,77,89)(H,78,85)(H,79,91)(H,80,90)(H,93,94)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,39+,40+,41+,42+,43+,44+,45-,46+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM85780
PNG
([(R)-Atc4, D-Ala8]Dyn A-(1-11)NH2 | [(S)-Atc4 , D-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C62H99N21O13/c1-35(2)30-46(81-58(96)62(24-23-38-12-4-5-13-39(38)32-62)82-49(86)34-74-48(85)33-75-51(88)41(64)31-37-19-21-40(84)22-20-37)54(91)78-43(16-9-27-72-60(67)68)53(90)77-42(15-8-26-71-59(65)66)52(89)76-36(3)50(87)79-44(17-10-28-73-61(69)70)56(93)83-29-11-18-47(83)55(92)80-45(57(94)95)14-6-7-25-63/h4-5,12-13,19-22,35-36,41-47,84H,6-11,14-18,23-34,63-64H2,1-3H3,(H,74,85)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,79,87)(H,80,92)(H,81,96)(H,82,86)(H,94,95)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%