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Articleid 50034889

Compile data set for download or QSAR
Found 66 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
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289794
PNG
(CHEMBL292119 | [2-(1H-Indol-3-yl)-1-isobutylcarbam...)
Show SMILES CC(C)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H39N5O3/c1-28(2)23-41-37(45)36(22-29-24-40-35-21-13-12-20-34(29)35)43-38(46)47-26-33-25-44(27-42-33)39(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-21,24-25,27-28,36,40H,22-23,26H2,1-2H3,(H,41,45)(H,43,46)
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Article
37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289823
PNG
(CHEMBL418299 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-ind...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C32H31N5O3/c38-31(33-15-13-21-18-34-27-10-4-1-7-24(21)27)30(17-23-20-36-29-12-6-3-9-26(23)29)37-32(39)40-16-14-22-19-35-28-11-5-2-8-25(22)28/h1-12,18-20,30,34-36H,13-17H2,(H,33,38)(H,37,39)/t30-/m0/s1
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Article
980n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289798
PNG
(CHEMBL59187 | [(S)-2-(1H-Indol-3-yl)-1-phenethylca...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H30N4O3/c35-29(31-16-14-21-8-2-1-3-9-21)28(18-23-20-33-27-13-7-5-11-25(23)27)34-30(36)37-17-15-22-19-32-26-12-6-4-10-24(22)26/h1-13,19-20,28,32-33H,14-18H2,(H,31,35)(H,34,36)/t28-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289822
PNG
(CHEMBL291924 | [2-(1H-Indol-3-yl)-1-phenethylcarba...)
Show SMILES O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1cnc[nH]1
Show InChI InChI=1S/C24H25N5O3/c30-23(26-11-10-17-6-2-1-3-7-17)22(29-24(31)32-15-19-14-25-16-28-19)12-18-13-27-21-9-5-4-8-20(18)21/h1-9,13-14,16,22,27H,10-12,15H2,(H,25,28)(H,26,30)(H,29,31)
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Article
2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289801
PNG
(CHEMBL292766 | [(S)-2-(1H-Indol-3-yl)-1-phenethylc...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O3/c31-26(28-16-15-20-9-3-1-4-10-20)25(17-22-18-29-24-14-8-7-13-23(22)24)30-27(32)33-19-21-11-5-2-6-12-21/h1-14,18,25,29H,15-17,19H2,(H,28,31)(H,30,32)/t25-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289829
PNG
(CHEMBL291925 | [(S)-2-(1H-Indol-3-yl)-1-phenethylc...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1cnc[nH]1
Show InChI InChI=1S/C24H25N5O3/c30-23(26-11-10-17-6-2-1-3-7-17)22(29-24(31)32-15-19-14-25-16-28-19)12-18-13-27-21-9-5-4-8-20(18)21/h1-9,13-14,16,22,27H,10-12,15H2,(H,25,28)(H,26,30)(H,29,31)/t22-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289834
PNG
(CHEMBL60125 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-b...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H32N4O3/c1-18(2)11-13-28-26(32)25(15-20-17-30-24-10-6-4-8-22(20)24)31-27(33)34-14-12-19-16-29-23-9-5-3-7-21(19)23/h3-10,16-18,25,29-30H,11-15H2,1-2H3,(H,28,32)(H,31,33)/t25-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289827
PNG
(CHEMBL59561 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indo...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1ccccc1
Show InChI InChI=1S/C29H28N4O3/c34-28(30-15-14-21-17-31-25-12-6-4-10-23(21)25)27(16-22-18-32-26-13-7-5-11-24(22)26)33-29(35)36-19-20-8-2-1-3-9-20/h1-13,17-18,27,31-32H,14-16,19H2,(H,30,34)(H,33,35)/t27-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289850
PNG
(CHEMBL59055 | [(S)-2-(1H-Indol-3-yl)-1-isobutylcar...)
Show SMILES CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H30N4O3/c1-17(2)14-29-25(31)24(13-19-16-28-23-10-6-4-8-21(19)23)30-26(32)33-12-11-18-15-27-22-9-5-3-7-20(18)22/h3-10,15-17,24,27-28H,11-14H2,1-2H3,(H,29,31)(H,30,32)/t24-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289833
PNG
(CHEMBL294165 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-ind...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1cnc[nH]1
Show InChI InChI=1S/C26H26N6O3/c33-25(28-10-9-17-12-29-22-7-3-1-5-20(17)22)24(32-26(34)35-15-19-14-27-16-31-19)11-18-13-30-23-8-4-2-6-21(18)23/h1-8,12-14,16,24,29-30H,9-11,15H2,(H,27,31)(H,28,33)(H,32,34)/t24-/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289799
PNG
(CHEMBL293240 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cnc[nH]1
Show InChI InChI=1S/C21H27N5O3/c1-14(2)7-8-23-20(27)19(26-21(28)29-12-16-11-22-13-25-16)9-15-10-24-18-6-4-3-5-17(15)18/h3-6,10-11,13-14,19,24H,7-9,12H2,1-2H3,(H,22,25)(H,23,27)(H,26,28)/t19-/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289799
PNG
(CHEMBL293240 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cnc[nH]1
Show InChI InChI=1S/C21H27N5O3/c1-14(2)7-8-23-20(27)19(26-21(28)29-12-16-11-22-13-25-16)9-15-10-24-18-6-4-3-5-17(15)18/h3-6,10-11,13-14,19,24H,7-9,12H2,1-2H3,(H,22,25)(H,23,27)(H,26,28)/t19-/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289808
PNG
(CHEMBL61615 | [(S)-2-(1H-Indol-3-yl)-1-phenethylca...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H29N3O3/c1-17(2)16-30-24(29)27-22(14-19-15-26-21-11-7-6-10-20(19)21)23(28)25-13-12-18-8-4-3-5-9-18/h3-11,15,17,22,26H,12-14,16H2,1-2H3,(H,25,28)(H,27,29)/t22-/m0/s1
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Article
4.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289825
PNG
(CHEMBL59060 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indo...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H30N4O3/c1-17(2)16-33-26(32)30-24(13-19-15-29-23-10-6-4-8-21(19)23)25(31)27-12-11-18-14-28-22-9-5-3-7-20(18)22/h3-10,14-15,17,24,28-29H,11-13,16H2,1-2H3,(H,27,31)(H,30,32)/t24-/m0/s1
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4.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289837
PNG
(CHEMBL61098 | [1-[2-(1H-Imidazol-4-yl)-ethylcarbam...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1)OCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H28N6O3/c34-26(29-11-9-20-16-28-17-32-20)25(13-19-15-31-24-8-4-2-6-22(19)24)33-27(35)36-12-10-18-14-30-23-7-3-1-5-21(18)23/h1-8,14-17,25,30-31H,9-13H2,(H,28,32)(H,29,34)(H,33,35)/t25-/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289809
PNG
(CHEMBL58852 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-b...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O3/c1-17(2)12-13-25-23(28)22(14-19-15-26-21-11-7-6-10-20(19)21)27-24(29)30-16-18-8-4-3-5-9-18/h3-11,15,17,22,26H,12-14,16H2,1-2H3,(H,25,28)(H,27,29)/t22-/m0/s1
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6.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289814
PNG
(CHEMBL60176 | [(S)-1-(5-Amino-pentylcarbamoyl)-2-(...)
Show SMILES NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H33N5O3/c28-13-6-1-7-14-29-26(33)25(16-20-18-31-24-11-5-3-9-22(20)24)32-27(34)35-15-12-19-17-30-23-10-4-2-8-21(19)23/h2-5,8-11,17-18,25,30-31H,1,6-7,12-16,28H2,(H,29,33)(H,32,34)/t25-/m0/s1
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7.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289810
PNG
(CHEMBL301636 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-ind...)
Show SMILES NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H31N5O3/c27-12-5-6-14-34-26(33)31-24(15-19-17-30-23-10-4-2-8-21(19)23)25(32)28-13-11-18-16-29-22-9-3-1-7-20(18)22/h1-4,7-10,16-17,24,29-30H,5-6,11-15,27H2,(H,28,32)(H,31,33)/t24-/m0/s1
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8.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289849
PNG
(CHEMBL294824 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C
Show InChI InChI=1S/C21H31N3O3/c1-14(2)9-10-22-20(25)19(24-21(26)27-13-15(3)4)11-16-12-23-18-8-6-5-7-17(16)18/h5-8,12,14-15,19,23H,9-11,13H2,1-4H3,(H,22,25)(H,24,26)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289848
PNG
(CHEMBL58864 | [(S)-2-(1H-Indol-3-yl)-1-isobutylcar...)
Show SMILES CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)C
Show InChI InChI=1S/C19H27N3O3/c1-12(2)10-21-18(23)17(22-19(24)25-13(3)4)9-14-11-20-16-8-6-5-7-15(14)16/h5-8,11-13,17,20H,9-10H2,1-4H3,(H,21,23)(H,22,24)/t17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289805
PNG
(CHEMBL432510 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-ind...)
Show SMILES OC(=O)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H24N4O5/c29-22(30)14-33-24(32)28-21(11-16-13-27-20-8-4-2-6-18(16)20)23(31)25-10-9-15-12-26-19-7-3-1-5-17(15)19/h1-8,12-13,21,26-27H,9-11,14H2,(H,25,31)(H,28,32)(H,29,30)/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289806
PNG
(CHEMBL59243 | [1-[2-(1H-Imidazol-4-yl)-ethylcarbam...)
Show SMILES NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C21H28N6O3/c22-8-3-4-10-30-21(29)27-19(20(28)24-9-7-16-13-23-14-26-16)11-15-12-25-18-6-2-1-5-17(15)18/h1-2,5-6,12-14,19,25H,3-4,7-11,22H2,(H,23,26)(H,24,28)(H,27,29)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289817
PNG
(3-[(S)-3-(1H-Indol-3-yl)-2-methoxycarbonylamino-pr...)
Show SMILES COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(O)=O
Show InChI InChI=1S/C16H19N3O5/c1-24-16(23)19-13(15(22)17-7-6-14(20)21)8-10-9-18-12-5-3-2-4-11(10)12/h2-5,9,13,18H,6-8H2,1H3,(H,17,22)(H,19,23)(H,20,21)/t13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289816
PNG
(CHEMBL300380 | [(S)-1-(2-Hydroxy-ethylcarbamoyl)-2...)
Show SMILES NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
Show InChI InChI=1S/C18H26N4O4/c19-7-3-4-10-26-18(25)22-16(17(24)20-8-9-23)11-13-12-21-15-6-2-1-5-14(13)15/h1-2,5-6,12,16,21,23H,3-4,7-11,19H2,(H,20,24)(H,22,25)/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289819
PNG
(CHEMBL301849 | [1-[2-(1H-Imidazol-4-yl)-ethylcarba...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C21H27N5O3/c1-14(2)12-29-21(28)26-19(20(27)23-8-7-16-11-22-13-25-16)9-15-10-24-18-6-4-3-5-17(15)18/h3-6,10-11,13-14,19,24H,7-9,12H2,1-2H3,(H,22,25)(H,23,27)(H,26,28)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289842
PNG
(CHEMBL59222 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-b...)
Show SMILES COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(C)C
Show InChI InChI=1S/C18H25N3O3/c1-12(2)8-9-19-17(22)16(21-18(23)24-3)10-13-11-20-15-7-5-4-6-14(13)15/h4-7,11-12,16,20H,8-10H2,1-3H3,(H,19,22)(H,21,23)/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289847
PNG
(3-[(S)-3-(1H-Indol-3-yl)-2-isopropoxycarbonylamino...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-11(2)26-18(25)21-15(17(24)19-8-7-16(22)23)9-12-10-20-14-6-4-3-5-13(12)14/h3-6,10-11,15,20H,7-9H2,1-2H3,(H,19,24)(H,21,25)(H,22,23)/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289811
PNG
(CHEMBL58442 | [1-[2-(1H-Imidazol-4-yl)-ethylcarbam...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1)OCc1ccccc1
Show InChI InChI=1S/C24H25N5O3/c30-23(26-11-10-19-14-25-16-28-19)22(12-18-13-27-21-9-5-4-8-20(18)21)29-24(31)32-15-17-6-2-1-3-7-17/h1-9,13-14,16,22,27H,10-12,15H2,(H,25,28)(H,26,30)(H,29,31)/t22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289812
PNG
(CHEMBL61183 | [(S)-2-(1H-Indol-3-yl)-1-isobutylcar...)
Show SMILES CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-11(2)8-20-17(24)15(21-18(25)26-10-16(22)23)7-12-9-19-14-6-4-3-5-13(12)14/h3-6,9,11,15,19H,7-8,10H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289835
PNG
(CHEMBL431327 | [(S)-1-(5-Amino-pentylcarbamoyl)-2-...)
Show SMILES NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(O)=O
Show InChI InChI=1S/C19H26N4O5/c20-8-4-1-5-9-21-18(26)16(23-19(27)28-12-17(24)25)10-13-11-22-15-7-3-2-6-14(13)15/h2-3,6-7,11,16,22H,1,4-5,8-10,12,20H2,(H,21,26)(H,23,27)(H,24,25)/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289843
PNG
(CHEMBL294019 | [(S)-1-(2-Hydroxy-ethylcarbamoyl)-2...)
Show SMILES COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
Show InChI InChI=1S/C15H19N3O4/c1-22-15(21)18-13(14(20)16-6-7-19)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,13,17,19H,6-8H2,1H3,(H,16,20)(H,18,21)/t13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289802
PNG
(CHEMBL57951 | [(S)-1-(2-Hydroxy-ethylcarbamoyl)-2-...)
Show SMILES OCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(O)=O
Show InChI InChI=1S/C16H19N3O6/c20-6-5-17-15(23)13(19-16(24)25-9-14(21)22)7-10-8-18-12-4-2-1-3-11(10)12/h1-4,8,13,18,20H,5-7,9H2,(H,17,23)(H,19,24)(H,21,22)/t13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289844
PNG
(CHEMBL294570 | [(S)-1-(2-Hydroxy-ethylcarbamoyl)-2...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
Show InChI InChI=1S/C18H25N3O4/c1-12(2)11-25-18(24)21-16(17(23)19-7-8-22)9-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,12,16,20,22H,7-9,11H2,1-2H3,(H,19,23)(H,21,24)/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289815
PNG
(CHEMBL59519 | [(S)-1-(5-Amino-pentylcarbamoyl)-2-(...)
Show SMILES COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCN
Show InChI InChI=1S/C18H26N4O3/c1-25-18(24)22-16(17(23)20-10-6-2-5-9-19)11-13-12-21-15-8-4-3-7-14(13)15/h3-4,7-8,12,16,21H,2,5-6,9-11,19H2,1H3,(H,20,23)(H,22,24)/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289839
PNG
(CHEMBL59513 | [(S)-2-(1H-Indol-3-yl)-1-isobutylcar...)
Show SMILES COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)C
Show InChI InChI=1S/C17H23N3O3/c1-11(2)9-19-16(21)15(20-17(22)23-3)8-12-10-18-14-7-5-4-6-13(12)14/h4-7,10-11,15,18H,8-9H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289807
PNG
(CHEMBL57601 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indo...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H28N4O3/c1-16(2)32-25(31)29-23(13-18-15-28-22-10-6-4-8-20(18)22)24(30)26-12-11-17-14-27-21-9-5-3-7-19(17)21/h3-10,14-16,23,27-28H,11-13H2,1-2H3,(H,26,30)(H,29,31)/t23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289846
PNG
(CHEMBL58853 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-b...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCCCN
Show InChI InChI=1S/C21H32N4O3/c1-15(2)9-11-23-20(26)19(25-21(27)28-12-6-5-10-22)13-16-14-24-18-8-4-3-7-17(16)18/h3-4,7-8,14-15,19,24H,5-6,9-13,22H2,1-2H3,(H,23,26)(H,25,27)/t19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289838
PNG
(3-[(S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-20(27)10-11-23-21(28)19(12-16-13-24-18-9-5-4-8-17(16)18)25-22(29)30-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,28)(H,25,29)(H,26,27)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289830
PNG
(CHEMBL58868 | [(S)-1-(2-Hydroxy-ethylcarbamoyl)-2-...)
Show SMILES OCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H26N4O4/c29-11-10-25-23(30)22(13-17-15-27-21-8-4-2-6-19(17)21)28-24(31)32-12-9-16-14-26-20-7-3-1-5-18(16)20/h1-8,14-15,22,26-27,29H,9-13H2,(H,25,30)(H,28,31)/t22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289826
PNG
(CHEMBL299689 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-ind...)
Show SMILES COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O3/c1-30-23(29)27-21(12-16-14-26-20-9-5-3-7-18(16)20)22(28)24-11-10-15-13-25-19-8-4-2-6-17(15)19/h2-9,13-14,21,25-26H,10-12H2,1H3,(H,24,28)(H,27,29)/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289851
PNG
(3-[(S)-3-(1H-Indol-3-yl)-2-isobutoxycarbonylamino-...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(O)=O
Show InChI InChI=1S/C19H25N3O5/c1-12(2)11-27-19(26)22-16(18(25)20-8-7-17(23)24)9-13-10-21-15-6-4-3-5-14(13)15/h3-6,10,12,16,21H,7-9,11H2,1-2H3,(H,20,25)(H,22,26)(H,23,24)/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289795
PNG
(CHEMBL61237 | [(S)-2-(1H-Indol-3-yl)-1-isobutylcar...)
Show SMILES CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cnc[nH]1
Show InChI InChI=1S/C20H25N5O3/c1-13(2)8-23-19(26)18(25-20(27)28-11-15-10-21-12-24-15)7-14-9-22-17-6-4-3-5-16(14)17/h3-6,9-10,12-13,18,22H,7-8,11H2,1-2H3,(H,21,24)(H,23,26)(H,25,27)/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289803
PNG
(CHEMBL59382 | [(S)-2-(1H-Indol-3-yl)-1-isobutylcar...)
Show SMILES CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H27N3O3/c1-16(2)13-25-22(27)21(12-18-14-24-20-11-7-6-10-19(18)20)26-23(28)29-15-17-8-4-3-5-9-17/h3-11,14,16,21,24H,12-13,15H2,1-2H3,(H,25,27)(H,26,28)/t21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289831
PNG
(CHEMBL293281 | [(S)-2-(1H-Indol-3-yl)-1-isobutylca...)
Show SMILES CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C
Show InChI InChI=1S/C20H29N3O3/c1-13(2)10-22-19(24)18(23-20(25)26-12-14(3)4)9-15-11-21-17-8-6-5-7-16(15)17/h5-8,11,13-14,18,21H,9-10,12H2,1-4H3,(H,22,24)(H,23,25)/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289824
PNG
(CHEMBL304238 | [(S)-1-(2-Hydroxy-ethylcarbamoyl)-2...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
Show InChI InChI=1S/C17H23N3O4/c1-11(2)24-17(23)20-15(16(22)18-7-8-21)9-12-10-19-14-6-4-3-5-13(12)14/h3-6,10-11,15,19,21H,7-9H2,1-2H3,(H,18,22)(H,20,23)/t15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289832
PNG
(CHEMBL300374 | [(S)-1-(5-Amino-pentylcarbamoyl)-2-...)
Show SMILES NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H30N4O3/c25-13-7-2-8-14-26-23(29)22(15-19-16-27-21-12-6-5-11-20(19)21)28-24(30)31-17-18-9-3-1-4-10-18/h1,3-6,9-12,16,22,27H,2,7-8,13-15,17,25H2,(H,26,29)(H,28,30)/t22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289840
PNG
(CHEMBL59777 | [(S)-2-(1H-Indol-3-yl)-1-phenethylca...)
Show SMILES OC(=O)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c26-20(27)14-30-22(29)25-19(12-16-13-24-18-9-5-4-8-17(16)18)21(28)23-11-10-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,28)(H,25,29)(H,26,27)/t19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289841
PNG
(CHEMBL57599 | [(S)-2-(1H-Indol-3-yl)-1-isobutylcar...)
Show SMILES CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCCCN
Show InChI InChI=1S/C20H30N4O3/c1-14(2)12-23-19(25)18(24-20(26)27-10-6-5-9-21)11-15-13-22-17-8-4-3-7-16(15)17/h3-4,7-8,13-14,18,22H,5-6,9-12,21H2,1-2H3,(H,23,25)(H,24,26)/t18-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289852
PNG
(CHEMBL60571 | [(S)-1-(2-Hydroxy-ethylcarbamoyl)-2-...)
Show SMILES OCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O4/c25-11-10-22-20(26)19(12-16-13-23-18-9-5-4-8-17(16)18)24-21(27)28-14-15-6-2-1-3-7-15/h1-9,13,19,23,25H,10-12,14H2,(H,22,26)(H,24,27)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289793
PNG
(CHEMBL61351 | [1-[2-(1H-Imidazol-4-yl)-ethylcarbam...)
Show SMILES COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C18H21N5O3/c1-26-18(25)23-16(17(24)20-7-6-13-10-19-11-22-13)8-12-9-21-15-5-3-2-4-14(12)15/h2-5,9-11,16,21H,6-8H2,1H3,(H,19,22)(H,20,24)(H,23,25)/t16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289797
PNG
(CHEMBL59178 | [(S)-1-(5-Amino-pentylcarbamoyl)-2-(...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCN
Show InChI InChI=1S/C21H32N4O3/c1-15(2)14-28-21(27)25-19(20(26)23-11-7-3-6-10-22)12-16-13-24-18-9-5-4-8-17(16)18/h4-5,8-9,13,15,19,24H,3,6-7,10-12,14,22H2,1-2H3,(H,23,26)(H,25,27)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289800
PNG
(CHEMBL61041 | [(S)-2-(1H-Indol-3-yl)-1-phenethylca...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H27N3O3/c1-16(2)29-23(28)26-21(14-18-15-25-20-11-7-6-10-19(18)20)22(27)24-13-12-17-8-4-3-5-9-17/h3-11,15-16,21,25H,12-14H2,1-2H3,(H,24,27)(H,26,28)/t21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289804
PNG
(CHEMBL300578 | [(S)-2-(1H-Indol-3-yl)-1-phenethylc...)
Show SMILES COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H23N3O3/c1-27-21(26)24-19(13-16-14-23-18-10-6-5-9-17(16)18)20(25)22-12-11-15-7-3-2-4-8-15/h2-10,14,19,23H,11-13H2,1H3,(H,22,25)(H,24,26)/t19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289813
PNG
(CHEMBL59246 | [1-[2-(1H-Imidazol-4-yl)-ethylcarbam...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C20H25N5O3/c1-13(2)28-20(27)25-18(19(26)22-8-7-15-11-21-12-24-15)9-14-10-23-17-6-4-3-5-16(14)17/h3-6,10-13,18,23H,7-9H2,1-2H3,(H,21,24)(H,22,26)(H,25,27)/t18-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289821
PNG
(CHEMBL58851 | [(S)-1-(5-Amino-pentylcarbamoyl)-2-(...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCN
Show InChI InChI=1S/C20H30N4O3/c1-14(2)27-20(26)24-18(19(25)22-11-7-3-6-10-21)12-15-13-23-17-9-5-4-8-16(15)17/h4-5,8-9,13-14,18,23H,3,6-7,10-12,21H2,1-2H3,(H,22,25)(H,24,26)/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289836
PNG
(CHEMBL58167 | [(S)-2-(1H-Indol-3-yl)-1-phenethylca...)
Show SMILES NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H30N4O3/c25-13-6-7-15-31-24(30)28-22(16-19-17-27-21-11-5-4-10-20(19)21)23(29)26-14-12-18-8-2-1-3-9-18/h1-5,8-11,17,22,27H,6-7,12-16,25H2,(H,26,29)(H,28,30)/t22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289845
PNG
(3-[(S)-2-(4-Amino-butoxycarbonylamino)-3-(1H-indol...)
Show SMILES NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(O)=O
Show InChI InChI=1S/C19H26N4O5/c20-8-3-4-10-28-19(27)23-16(18(26)21-9-7-17(24)25)11-13-12-22-15-6-2-1-5-14(13)15/h1-2,5-6,12,16,22H,3-4,7-11,20H2,(H,21,26)(H,23,27)(H,24,25)/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289796
PNG
(3-{(S)-3-(1H-Indol-3-yl)-2-[2-(1H-indol-3-yl)-etho...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H26N4O5/c30-23(31)9-11-26-24(32)22(13-17-15-28-21-8-4-2-6-19(17)21)29-25(33)34-12-10-16-14-27-20-7-3-1-5-18(16)20/h1-8,14-15,22,27-28H,9-13H2,(H,26,32)(H,29,33)(H,30,31)/t22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289818
PNG
(CHEMBL58605 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-b...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(O)=O
Show InChI InChI=1S/C19H25N3O5/c1-12(2)7-8-20-18(25)16(22-19(26)27-11-17(23)24)9-13-10-21-15-6-4-3-5-14(13)15/h3-6,10,12,16,21H,7-9,11H2,1-2H3,(H,20,25)(H,22,26)(H,23,24)/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289820
PNG
(CHEMBL58537 | [(S)-1-(5-Amino-pentylcarbamoyl)-2-(...)
Show SMILES NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCCCN
Show InChI InChI=1S/C21H33N5O3/c22-10-4-1-6-12-24-20(27)19(26-21(28)29-13-7-5-11-23)14-16-15-25-18-9-3-2-8-17(16)18/h2-3,8-9,15,19,25H,1,4-7,10-14,22-23H2,(H,24,27)(H,26,28)/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50289828
PNG
(CHEMBL58400 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-b...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)C
Show InChI InChI=1S/C20H29N3O3/c1-13(2)9-10-21-19(24)18(23-20(25)26-14(3)4)11-15-12-22-17-8-6-5-7-16(15)17/h5-8,12-14,18,22H,9-11H2,1-4H3,(H,21,24)(H,23,25)/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50289825
PNG
(CHEMBL59060 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indo...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H30N4O3/c1-17(2)16-33-26(32)30-24(13-19-15-29-23-10-6-4-8-21(19)23)25(31)27-12-11-18-14-28-22-9-5-3-7-20(18)22/h3-10,14-15,17,24,28-29H,11-13,16H2,1-2H3,(H,27,31)(H,30,32)/t24-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for binding affinity to neurokinin (NK1) receptor in human IM9 cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50289827
PNG
(CHEMBL59561 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indo...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1ccccc1
Show InChI InChI=1S/C29H28N4O3/c34-28(30-15-14-21-17-31-25-12-6-4-10-23(21)25)27(16-22-18-32-26-13-7-5-11-24(22)26)33-29(35)36-19-20-8-2-1-3-9-20/h1-13,17-18,27,31-32H,14-16,19H2,(H,30,34)(H,33,35)/t27-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for binding affinity to neuropeptide (CCK-A) receptor in rat pancrea


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)
BDBM50289809
PNG
(CHEMBL58852 | [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-b...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29N3O3/c1-17(2)12-13-25-23(28)22(14-19-15-26-21-11-7-6-10-20(19)21)27-24(29)30-16-18-8-4-3-5-9-18/h3-11,15,17,22,26H,12-14,16H2,1-2H3,(H,25,28)(H,27,29)/t22-/m0/s1
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n/an/a 2.12E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for binding affinity to neuropeptide (CCK-B) receptor in mouse cerebral cortex


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Substance-K receptor


(HAMSTER)
BDBM50289801
PNG
(CHEMBL292766 | [(S)-2-(1H-Indol-3-yl)-1-phenethylc...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O3/c31-26(28-16-15-20-9-3-1-4-10-20)25(17-22-18-29-24-14-8-7-13-23(22)24)30-27(32)33-19-21-11-5-2-6-12-21/h1-14,18,25,29H,15-17,19H2,(H,28,31)(H,30,32)/t25-/m0/s1
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n/an/a 3.27E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for binding affinity to neurokinin (NK2) receptor in hamster urinary bladder


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50289807
PNG
(CHEMBL57601 | {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indo...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H28N4O3/c1-16(2)32-25(31)29-23(13-18-15-28-22-10-6-4-8-20(18)22)24(30)26-12-11-17-14-27-21-9-5-3-7-19(17)21/h3-10,14-16,23,27-28H,11-13H2,1-2H3,(H,26,30)(H,29,31)/t23-/m0/s1
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n/an/a 9.42E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 1957-1962 (1997)


Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%