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142 similar compounds to monomer 50127525

Compile data set for download or QSAR
Wt: 318.3
BDBM36308
Wt: 537.6
BDBM50002572
Wt: 1223.3
BDBM50002539
Wt: 536.6
BDBM50002547
Wt: 537.6
BDBM50002567
Wt: 448.6
BDBM50008636
Wt: 497.6
BDBM50008646
Wt: 498.6
BDBM50008655
Wt: 497.6
BDBM50008656
Wt: 701.8
BDBM50014137
Wt: 749.9
BDBM50014116
Wt: 735.9
BDBM50014138
Wt: 735.9
BDBM50014141
Wt: 752.9
BDBM50007822
Wt: 439.5
BDBM50030432
Displayed 1 to 15 (of 142 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 36308,50002572,50002539,50002547,50002567,50008636,50008646,50008655,50008656,50014137,50014116,50014138,50014141,50007822,50030432   
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
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008656
PNG
((R)-Naphthalene-2-carboxylic acid [1-dipentylcarba...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H39N3O2/c1-3-5-11-19-35(20-12-6-4-2)32(37)30(22-27-23-33-29-16-10-9-15-28(27)29)34-31(36)26-18-17-24-13-7-8-14-25(24)21-26/h7-10,13-18,21,23,30,33H,3-6,11-12,19-20,22H2,1-2H3,(H,34,36)/t30-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreatic membranes.


J Med Chem 34: 3350-9 (1992)


Article DOI: 10.1021/jm00116a002
BindingDB Entry DOI: 10.7270/Q2M907M8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014116
PNG
(6-Amino-2-(3-benzyl-6-benzylamino-2,5,9-trioxo-[1,...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C43H55N7O5/c1-29(2)22-24-45-40(52)36(26-32-28-47-34-18-10-9-17-33(32)34)48-42(54)38(19-11-12-23-44)50-39(51)21-20-35(46-27-31-15-7-4-8-16-31)41(53)49-37(43(50)55)25-30-13-5-3-6-14-30/h3-10,13-18,28-29,35-38,46-47H,11-12,19-27,44H2,1-2H3,(H,45,52)(H,48,54)(H,49,53)/t35-,36+,37-,38+/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine renin


J Med Chem 33: 2552-60 (1990)


Article DOI: 10.1021/jm00171a033
BindingDB Entry DOI: 10.7270/Q2NS0VHH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008646
PNG
((R)-Naphthalene-1-carboxylic acid [1-dipentylcarba...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C32H39N3O2/c1-3-5-11-20-35(21-12-6-4-2)32(37)30(22-25-23-33-29-19-10-9-17-27(25)29)34-31(36)28-18-13-15-24-14-7-8-16-26(24)28/h7-10,13-19,23,30,33H,3-6,11-12,20-22H2,1-2H3,(H,34,36)/t30-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreatic membranes.


J Med Chem 34: 3350-9 (1992)


Article DOI: 10.1021/jm00116a002
BindingDB Entry DOI: 10.7270/Q2M907M8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50008636
PNG
((R)-N-[1-Dipentylcarbamoyl-2-(1H-indol-3-yl)-ethyl...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccnc1
Show InChI InChI=1S/C27H36N4O2/c1-3-5-9-16-31(17-10-6-4-2)27(33)25(30-26(32)21-12-11-15-28-19-21)18-22-20-29-24-14-8-7-13-23(22)24/h7-8,11-15,19-20,25,29H,3-6,9-10,16-18H2,1-2H3,(H,30,32)/t25-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type B receptor in guinea pig cerebral cortical.


J Med Chem 34: 3350-9 (1992)


Article DOI: 10.1021/jm00116a002
BindingDB Entry DOI: 10.7270/Q2M907M8
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008655
PNG
((R)-Quinoline-6-carboxylic acid [1-dipentylcarbamo...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C31H38N4O2/c1-3-5-9-18-35(19-10-6-4-2)31(37)29(21-25-22-33-28-14-8-7-13-26(25)28)34-30(36)24-15-16-27-23(20-24)12-11-17-32-27/h7-8,11-17,20,22,29,33H,3-6,9-10,18-19,21H2,1-2H3,(H,34,36)/t29-/m1/s1
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n/an/a 239n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreatic membranes.


J Med Chem 34: 3350-9 (1992)


Article DOI: 10.1021/jm00116a002
BindingDB Entry DOI: 10.7270/Q2M907M8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50008655
PNG
((R)-Quinoline-6-carboxylic acid [1-dipentylcarbamo...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C31H38N4O2/c1-3-5-9-18-35(19-10-6-4-2)31(37)29(21-25-22-33-28-14-8-7-13-26(25)28)34-30(36)24-15-16-27-23(20-24)12-11-17-32-27/h7-8,11-17,20,22,29,33H,3-6,9-10,18-19,21H2,1-2H3,(H,34,36)/t29-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type B receptor in guinea pig cerebral cortical.


J Med Chem 34: 3350-9 (1992)


Article DOI: 10.1021/jm00116a002
BindingDB Entry DOI: 10.7270/Q2M907M8
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008636
PNG
((R)-N-[1-Dipentylcarbamoyl-2-(1H-indol-3-yl)-ethyl...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccnc1
Show InChI InChI=1S/C27H36N4O2/c1-3-5-9-16-31(17-10-6-4-2)27(33)25(30-26(32)21-12-11-15-28-19-21)18-22-20-29-24-14-8-7-13-23(22)24/h7-8,11-15,19-20,25,29H,3-6,9-10,16-18H2,1-2H3,(H,30,32)/t25-/m1/s1
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n/an/a 1.46E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreatic membranes.


J Med Chem 34: 3350-9 (1992)


Article DOI: 10.1021/jm00116a002
BindingDB Entry DOI: 10.7270/Q2M907M8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50008656
PNG
((R)-Naphthalene-2-carboxylic acid [1-dipentylcarba...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H39N3O2/c1-3-5-11-19-35(20-12-6-4-2)32(37)30(22-27-23-33-29-16-10-9-15-28(27)29)34-31(36)26-18-17-24-13-7-8-14-25(24)21-26/h7-10,13-18,21,23,30,33H,3-6,11-12,19-20,22H2,1-2H3,(H,34,36)/t30-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type B receptor in guinea pig cerebral cortical.


J Med Chem 34: 3350-9 (1992)


Article DOI: 10.1021/jm00116a002
BindingDB Entry DOI: 10.7270/Q2M907M8
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a 892n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at neurokinin-1 (NK-1) receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a>1.60E+4n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity was measured at neurokinin-2 receptor in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014137
PNG
(6-Amino-2-(3-benzyl-8-isobutyl-2,5,9-trioxo-[1,4,7...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C39H55N7O5/c1-25(2)17-19-41-36(48)31(22-28-23-42-30-15-9-8-14-29(28)30)45-37(49)34(16-10-11-18-40)46-38(50)32(20-26(3)4)43-24-35(47)44-33(39(46)51)21-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-34,42-43H,10-11,16-22,24,40H2,1-4H3,(H,41,48)(H,44,47)(H,45,49)/t31-,32-,33-,34-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Porcine renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014138
PNG
(6-Amino-2-(3,6-dibenzyl-7-methyl-2,5,9-trioxo-[1,4...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C42H53N7O5/c1-28(2)20-22-44-39(51)35(25-31-26-45-33-18-10-9-17-32(31)33)47-41(53)37(19-11-12-21-43)49-38(50)27-46-34(23-29-13-5-3-6-14-29)40(52)48-36(42(49)54)24-30-15-7-4-8-16-30/h3-10,13-18,26,28,34-37,45-46H,11-12,19-25,27,43H2,1-2H3,(H,44,51)(H,47,53)(H,48,52)/t34-,35-,36-,37-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014141
PNG
(6-Amino-2-(3,6-dibenzyl-7-methyl-2,5,9-trioxo-[1,4...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CN[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C42H53N7O5/c1-28(2)20-22-44-39(51)35(25-31-26-45-33-18-10-9-17-32(31)33)47-41(53)37(19-11-12-21-43)49-38(50)27-46-34(23-29-13-5-3-6-14-29)40(52)48-36(42(49)54)24-30-15-7-4-8-16-30/h3-10,13-18,26,28,34-37,45-46H,11-12,19-25,27,43H2,1-2H3,(H,44,51)(H,47,53)(H,48,52)/t34-,35+,36+,37+/m1/s1
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n/an/a 2.74E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014137
PNG
(6-Amino-2-(3-benzyl-8-isobutyl-2,5,9-trioxo-[1,4,7...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C39H55N7O5/c1-25(2)17-19-41-36(48)31(22-28-23-42-30-15-9-8-14-29(28)30)45-37(49)34(16-10-11-18-40)46-38(50)32(20-26(3)4)43-24-35(47)44-33(39(46)51)21-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-34,42-43H,10-11,16-22,24,40H2,1-4H3,(H,41,48)(H,44,47)(H,45,49)/t31-,32-,33-,34-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(mouse)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at neurokinin-1 (NK-1) receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50002547
PNG
(1N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H32N6O3/c32-24(15-20-17-34-25-12-6-4-10-22(20)25)30(39)37-28(16-21-18-35-26-13-7-5-11-23(21)26)31(40)36-27(29(33)38)14-19-8-2-1-3-9-19/h1-13,17-18,24,27-28,34-35H,14-16,32H2,(H2,33,38)(H,36,40)(H,37,39)/t24-,27+,28-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips


J Med Chem 35: 2015-25 (1992)


Article DOI: 10.1021/jm00089a011
BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50002539
PNG
(CHEMBL405795 | D-Pro-Gln-Gln-D-Trp-Phe-D-Trp-D-Trp...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C66H74N14O10/c67-57(81)27-25-50(74-60(84)49-24-13-29-70-49)61(85)75-51(26-28-58(68)82)62(86)78-55(33-41-36-72-47-22-11-8-19-44(41)47)65(89)77-53(31-39-16-5-2-6-17-39)63(87)79-56(34-42-37-73-48-23-12-9-20-45(42)48)66(90)80-54(32-40-35-71-46-21-10-7-18-43(40)46)64(88)76-52(59(69)83)30-38-14-3-1-4-15-38/h1-12,14-23,35-37,49-56,70-73H,13,24-34H2,(H2,67,81)(H2,68,82)(H2,69,83)(H,74,84)(H,75,85)(H,76,88)(H,77,89)(H,78,86)(H,79,87)(H,80,90)/t49-,50+,51+,52+,53+,54-,55-,56-/m1/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips


J Med Chem 35: 2015-25 (1992)


Article DOI: 10.1021/jm00089a011
BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50002572
PNG
(2-[1-[1-amino-2-phenyl-(1S)-ethylcarboxamido]-2-(1...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C31H31N5O4/c32-24(14-19-8-2-1-3-9-19)29(37)35-27(15-20-17-33-25-12-6-4-10-22(20)25)30(38)36-28(31(39)40)16-21-18-34-26-13-7-5-11-23(21)26/h1-13,17-18,24,27-28,33-34H,14-16,32H2,(H,35,37)(H,36,38)(H,39,40)/t24-,27+,28+/m0/s1
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n/an/a 5.80E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips


J Med Chem 35: 2015-25 (1992)


Article DOI: 10.1021/jm00089a011
BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50002567
PNG
(2-[1-[1-amino-2-(1H-3-indolyl)-(1R)-ethylcarboxami...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C31H31N5O4/c32-24(15-20-17-33-25-12-6-4-10-22(20)25)29(37)35-27(14-19-8-2-1-3-9-19)30(38)36-28(31(39)40)16-21-18-34-26-13-7-5-11-23(21)26/h1-13,17-18,24,27-28,33-34H,14-16,32H2,(H,35,37)(H,36,38)(H,39,40)/t24-,27+,28-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips


J Med Chem 35: 2015-25 (1992)


Article DOI: 10.1021/jm00089a011
BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030432
PNG
(CHEMBL305608 | N-[(S)-1-[(3,5-Dimethyl-benzyl)-met...)
Show SMILES CN(Cc1cc(C)cc(C)c1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c1-19-13-20(2)15-21(14-19)18-31(3)28(33)26(30-27(32)22-9-5-4-6-10-22)16-23-17-29-25-12-8-7-11-24(23)25/h4-15,17,26,29H,16,18H2,1-3H3,(H,30,32)/t26-/m0/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.


J Med Chem 38: 934-41 (1995)


Article DOI: 10.1021/jm00006a012
BindingDB Entry DOI: 10.7270/Q2R78D8F
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50030432
PNG
(CHEMBL305608 | N-[(S)-1-[(3,5-Dimethyl-benzyl)-met...)
Show SMILES CN(Cc1cc(C)cc(C)c1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c1-19-13-20(2)15-21(14-19)18-31(3)28(33)26(30-27(32)22-9-5-4-6-10-22)16-23-17-29-25-12-8-7-11-24(23)25/h4-15,17,26,29H,16,18H2,1-3H3,(H,30,32)/t26-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030432
PNG
(CHEMBL305608 | N-[(S)-1-[(3,5-Dimethyl-benzyl)-met...)
Show SMILES CN(Cc1cc(C)cc(C)c1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c1-19-13-20(2)15-21(14-19)18-31(3)28(33)26(30-27(32)22-9-5-4-6-10-22)16-23-17-29-25-12-8-7-11-24(23)25/h4-15,17,26,29H,16,18H2,1-3H3,(H,30,32)/t26-/m0/s1
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n/an/a>1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014116
PNG
(6-Amino-2-(3-benzyl-6-benzylamino-2,5,9-trioxo-[1,...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C43H55N7O5/c1-29(2)22-24-45-40(52)36(26-32-28-47-34-18-10-9-17-33(32)34)48-42(54)38(19-11-12-23-44)50-39(51)21-20-35(46-27-31-15-7-4-8-16-31)41(53)49-37(43(50)55)25-30-13-5-3-6-14-30/h3-10,13-18,28-29,35-38,46-47H,11-12,19-27,44H2,1-2H3,(H,45,52)(H,48,54)(H,49,53)/t35-,36+,37-,38+/m1/s1
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n/an/a 520n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 2552-60 (1990)


Article DOI: 10.1021/jm00171a033
BindingDB Entry DOI: 10.7270/Q2NS0VHH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50008646
PNG
((R)-Naphthalene-1-carboxylic acid [1-dipentylcarba...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C32H39N3O2/c1-3-5-11-20-35(21-12-6-4-2)32(37)30(22-25-23-33-29-19-10-9-17-27(25)29)34-31(36)28-18-13-15-24-14-7-8-16-26(24)28/h7-10,13-19,23,30,33H,3-6,11-12,20-22H2,1-2H3,(H,34,36)/t30-/m1/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type B receptor in guinea pig cerebral cortical.


J Med Chem 34: 3350-9 (1992)


Article DOI: 10.1021/jm00116a002
BindingDB Entry DOI: 10.7270/Q2M907M8
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 36308,50002572,50002539,50002547,50002567,50008636,50008646,50008655,50008656,50014137,50014116,50014138,50014141,50007822,50030432
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36284
JPEG
BDBM36308
JPEG
PC cid
PC sid
CHEBI
PC cid
PC sid
-5.8010.7-16.54.23727



University of Cambridge





Chemistry 16: 13716-22 (2010)