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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'lizarzaburu' and Initial = 'me'   
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))
BDBM50147019
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methoxy-2,...)
Show SMILES COc1cccc2[nH]c3CCC(Cc3c12)(NC(=O)Nc1c(cccc1C(C)C)C(C)C)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C39H49N5O3/c1-25(2)27-13-11-14-28(26(3)4)35(27)43-37(46)44-39(21-18-30-29(23-39)34-31(42-30)15-12-16-32(34)47-5)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46)
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n/an/a 29n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I][D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147019
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methoxy-2,...)
Show SMILES COc1cccc2[nH]c3CCC(Cc3c12)(NC(=O)Nc1c(cccc1C(C)C)C(C)C)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C39H49N5O3/c1-25(2)27-13-11-14-28(26(3)4)35(27)43-37(46)44-39(21-18-30-29(23-39)34-31(42-30)15-12-16-32(34)47-5)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46)
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n/an/a 29n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I][D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147021
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-2,3,4,9-tetr...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C38H47N5O2/c1-25(2)27-14-12-15-28(26(3)4)34(27)42-36(45)43-38(21-18-32-30(23-38)29-13-6-7-16-31(29)41-32)35(44)40-24-37(19-9-5-10-20-37)33-17-8-11-22-39-33/h6-8,11-17,22,25-26,41H,5,9-10,18-21,23-24H2,1-4H3,(H,40,44)(H2,42,43,45)
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n/an/a 320n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50071754
PNG
((S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-in...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147035
PNG
(3-[3-(2-Methyl-4-nitro-phenyl)-ureido]-2,3,4,9-tet...)
Show SMILES Cc1cc(ccc1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1)[N+]([O-])=O
Show InChI InChI=1S/C33H36N6O4/c1-22-19-23(39(42)43)12-13-26(22)37-31(41)38-33(17-14-28-25(20-33)24-9-3-4-10-27(24)36-28)30(40)35-21-32(15-6-2-7-16-32)29-11-5-8-18-34-29/h3-5,8-13,18-19,36H,2,6-7,14-17,20-21H2,1H3,(H,35,40)(H2,37,38,41)
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n/an/a 620n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147043
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methyl-2,3...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3cccc(C)c3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C39H49N5O2/c1-25(2)28-14-12-15-29(26(3)4)35(28)43-37(46)44-39(21-18-31-30(23-39)34-27(5)13-11-16-32(34)42-31)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46)
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n/an/a 660n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147036
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-4,6-dimethyl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3ccc(C)cc3c2C1C)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C40H51N5O2/c1-25(2)29-13-12-14-30(26(3)4)36(29)44-38(47)45-40(21-18-33-35(28(40)6)31-23-27(5)16-17-32(31)43-33)37(46)42-24-39(19-9-7-10-20-39)34-15-8-11-22-41-34/h8,11-17,22-23,25-26,28,43H,7,9-10,18-21,24H2,1-6H3,(H,42,46)(H2,44,45,47)
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n/an/a 700n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147036
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-4,6-dimethyl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3ccc(C)cc3c2C1C)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C40H51N5O2/c1-25(2)29-13-12-14-30(26(3)4)36(29)44-38(47)45-40(21-18-33-35(28(40)6)31-23-27(5)16-17-32(31)43-33)37(46)42-24-39(19-9-7-10-20-39)34-15-8-11-22-41-34/h8,11-17,22-23,25-26,28,43H,7,9-10,18-21,24H2,1-6H3,(H,42,46)(H2,44,45,47)
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n/an/a 700n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147031
PNG
(3-[3-(4-Nitro-phenyl)-ureido]-2,3,4,9-tetrahydro-1...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCC2(CCCCC2)c2ccccn2)cc1
Show InChI InChI=1S/C32H34N6O4/c39-29(34-21-31(16-5-1-6-17-31)28-10-4-7-19-33-28)32(37-30(40)35-22-11-13-23(14-12-22)38(41)42)18-15-27-25(20-32)24-8-2-3-9-26(24)36-27/h2-4,7-14,19,36H,1,5-6,15-18,20-21H2,(H,34,39)(H2,35,37,40)
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n/an/a 800n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147023
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-4,7-difluoro...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3cc(F)ccc3c2C1F)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C38H45F2N5O2/c1-23(2)26-11-10-12-27(24(3)4)33(26)44-36(47)45-38(19-16-29-32(34(38)40)28-15-14-25(39)21-30(28)43-29)35(46)42-22-37(17-7-5-8-18-37)31-13-6-9-20-41-31/h6,9-15,20-21,23-24,34,43H,5,7-8,16-19,22H2,1-4H3,(H,42,46)(H2,44,45,47)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147041
PNG
(3-[3-(4-Trifluoromethyl-phenyl)-ureido]-2,3,4,9-te...)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCC2(CCCCC2)c2ccccn2)cc1
Show InChI InChI=1S/C33H34F3N5O2/c34-33(35,36)22-11-13-23(14-12-22)39-30(43)41-32(18-15-27-25(20-32)24-8-2-3-9-26(24)40-27)29(42)38-21-31(16-5-1-6-17-31)28-10-4-7-19-37-28/h2-4,7-14,19,40H,1,5-6,15-18,20-21H2,(H,38,42)(H2,39,41,43)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147029
PNG
(5-(3-{3-[(1-Pyridin-2-yl-cyclohexylmethyl)-carbamo...)
Show SMILES CCOC(=O)c1cc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCC2(CCCCC2)c2ccccn2)cc(c1)C(=O)OCC
Show InChI InChI=1S/C38H43N5O6/c1-3-48-33(44)25-20-26(34(45)49-4-2)22-27(21-25)41-36(47)43-38(18-15-31-29(23-38)28-12-6-7-13-30(28)42-31)35(46)40-24-37(16-9-5-10-17-37)32-14-8-11-19-39-32/h6-8,11-14,19-22,42H,3-5,9-10,15-18,23-24H2,1-2H3,(H,40,46)(H2,41,43,47)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147040
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-trifluorom...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3cccc(OC(F)(F)F)c3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C39H46F3N5O3/c1-24(2)26-12-10-13-27(25(3)4)34(26)46-36(49)47-38(35(48)44-23-37(18-7-5-8-19-37)32-16-6-9-21-43-32)20-17-29-28(22-38)33-30(45-29)14-11-15-31(33)50-39(40,41)42/h6,9-16,21,24-25,45H,5,7-8,17-20,22-23H2,1-4H3,(H,44,48)(H2,46,47,49)
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n/an/a 1.89E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147028
PNG
(7-Bromo-3-[3-(2,6-diisopropyl-phenyl)-ureido]-2,3,...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3cc(Br)ccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C38H46BrN5O2/c1-24(2)27-11-10-12-28(25(3)4)34(27)43-36(46)44-38(19-16-31-30(22-38)29-15-14-26(39)21-32(29)42-31)35(45)41-23-37(17-7-5-8-18-37)33-13-6-9-20-40-33/h6,9-15,20-21,24-25,42H,5,7-8,16-19,22-23H2,1-4H3,(H,41,45)(H2,43,44,46)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147020
PNG
(3-[3-(3-Acetyl-phenyl)-ureido]-2,3,4,9-tetrahydro-...)
Show SMILES CC(=O)c1cccc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCC2(CCCCC2)c2ccccn2)c1
Show InChI InChI=1S/C34H37N5O3/c1-23(40)24-10-9-11-25(20-24)37-32(42)39-34(18-15-29-27(21-34)26-12-3-4-13-28(26)38-29)31(41)36-22-33(16-6-2-7-17-33)30-14-5-8-19-35-30/h3-5,8-14,19-20,38H,2,6-7,15-18,21-22H2,1H3,(H,36,41)(H2,37,39,42)
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n/an/a 2.27E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147037
PNG
(3-[3-(4-Trifluoromethoxy-phenyl)-ureido]-2,3,4,9-t...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCC2(CCCCC2)c2ccccn2)cc1
Show InChI InChI=1S/C33H34F3N5O3/c34-33(35,36)44-23-13-11-22(12-14-23)39-30(43)41-32(18-15-27-25(20-32)24-8-2-3-9-26(24)40-27)29(42)38-21-31(16-5-1-6-17-31)28-10-4-7-19-37-28/h2-4,7-14,19,40H,1,5-6,15-18,20-21H2,(H,38,42)(H2,39,41,43)
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n/an/a 3.04E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147022
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-2,3,4,9-tetr...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CC1)c1ccccn1
Show InChI InChI=1S/C35H41N5O2/c1-22(2)24-11-9-12-25(23(3)4)31(24)39-33(42)40-35(16-15-29-27(20-35)26-10-5-6-13-28(26)38-29)32(41)37-21-34(17-18-34)30-14-7-8-19-36-30/h5-14,19,22-23,38H,15-18,20-21H2,1-4H3,(H,37,41)(H2,39,40,42)
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n/an/a 3.35E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147039
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-trifluorom...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3cccc(c3c2C1)C(F)(F)F)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C39H46F3N5O2/c1-24(2)26-12-10-13-27(25(3)4)34(26)46-36(49)47-38(35(48)44-23-37(18-7-5-8-19-37)32-16-6-9-21-43-32)20-17-30-28(22-38)33-29(39(40,41)42)14-11-15-31(33)45-30/h6,9-16,21,24-25,45H,5,7-8,17-20,22-23H2,1-4H3,(H,44,48)(H2,46,47,49)
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n/an/a 3.66E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147030
PNG
(3-(3-Cyclohexyl-ureido)-2,3,4,9-tetrahydro-1H-carb...)
Show SMILES O=C(NC1CCCCC1)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C32H41N5O2/c38-29(34-22-31(17-8-2-9-18-31)28-15-7-10-20-33-28)32(37-30(39)35-23-11-3-1-4-12-23)19-16-27-25(21-32)24-13-5-6-14-26(24)36-27/h5-7,10,13-15,20,23,36H,1-4,8-9,11-12,16-19,21-22H2,(H,34,38)(H2,35,37,39)
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n/an/a 3.92E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147038
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-2,3,4,9-tetr...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC(C)(C)c1ccccn1
Show InChI InChI=1S/C35H43N5O2/c1-22(2)24-13-11-14-25(23(3)4)31(24)39-33(42)40-35(32(41)37-21-34(5,6)30-16-9-10-19-36-30)18-17-29-27(20-35)26-12-7-8-15-28(26)38-29/h7-16,19,22-23,38H,17-18,20-21H2,1-6H3,(H,37,41)(H2,39,40,42)
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n/an/a 4.15E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147027
PNG
(3-[3-(2,6-Dimethyl-phenyl)-ureido]-2,3,4,9-tetrahy...)
Show SMILES Cc1cccc(C)c1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C34H39N5O2/c1-23-11-10-12-24(2)30(23)38-32(41)39-34(19-16-28-26(21-34)25-13-4-5-14-27(25)37-28)31(40)36-22-33(17-7-3-8-18-33)29-15-6-9-20-35-29/h4-6,9-15,20,37H,3,7-8,16-19,21-22H2,1-2H3,(H,36,40)(H2,38,39,41)
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n/an/a 5.49E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147042
PNG
(3-[3-(2-Methoxy-phenyl)-ureido]-2,3,4,9-tetrahydro...)
Show SMILES COc1ccccc1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C33H37N5O3/c1-41-28-14-6-5-13-27(28)37-31(40)38-33(19-16-26-24(21-33)23-11-3-4-12-25(23)36-26)30(39)35-22-32(17-8-2-9-18-32)29-15-7-10-20-34-29/h3-7,10-15,20,36H,2,8-9,16-19,21-22H2,1H3,(H,35,39)(H2,37,38,40)
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n/an/a 8.72E+3n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147045
PNG
(6-[3-(2,6-Diisopropyl-phenyl)-ureido]-6-[(1-pyridi...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3cccc(C(O)=O)c3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C39H47N5O4/c1-24(2)26-12-10-13-27(25(3)4)34(26)43-37(48)44-39(20-17-30-29(22-39)33-28(35(45)46)14-11-15-31(33)42-30)36(47)41-23-38(18-7-5-8-19-38)32-16-6-9-21-40-32/h6,9-16,21,24-25,42H,5,7-8,17-20,22-23H2,1-4H3,(H,41,47)(H,45,46)(H2,43,44,48)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147044
PNG
(3-[3-(4-Nitro-phenyl)-ureido]-2,3,4,9-tetrahydro-1...)
Show SMILES CC(C)(CNC(=O)C1(CCc2[nH]c3ccccc3c2C1)NC(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccccn1
Show InChI InChI=1S/C29H30N6O4/c1-28(2,25-9-5-6-16-30-25)18-31-26(36)29(34-27(37)32-19-10-12-20(13-11-19)35(38)39)15-14-24-22(17-29)21-7-3-4-8-23(21)33-24/h3-13,16,33H,14-15,17-18H2,1-2H3,(H,31,36)(H2,32,34,37)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147024
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-nitro-2,3,...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3cccc([N+]([O-])=O)c3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C38H46N6O4/c1-24(2)26-12-10-13-27(25(3)4)34(26)42-36(46)43-38(20-17-29-28(22-38)33-30(41-29)14-11-15-31(33)44(47)48)35(45)40-23-37(18-7-5-8-19-37)32-16-6-9-21-39-32/h6,9-16,21,24-25,41H,5,7-8,17-20,22-23H2,1-4H3,(H,40,45)(H2,42,43,46)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147025
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-2,3,4,9-tetr...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C36H41ClN4O2/c1-22(2)26-9-7-10-27(23(3)4)32(26)40-34(43)41-36(17-16-31-29(20-36)28-8-5-6-11-30(28)39-31)33(42)38-21-35(18-19-35)24-12-14-25(37)15-13-24/h5-15,22-23,39H,16-21H2,1-4H3,(H,38,42)(H2,40,41,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147026
PNG
(3-[3-(4-Nitro-phenyl)-ureido]-2,3,4,9-tetrahydro-1...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCC2(CCS(=O)(=O)CC2)c2ccccn2)cc1
Show InChI InChI=1S/C31H32N6O6S/c38-28(33-20-30(27-7-3-4-16-32-27)14-17-44(42,43)18-15-30)31(36-29(39)34-21-8-10-22(11-9-21)37(40)41)13-12-26-24(19-31)23-5-1-2-6-25(23)35-26/h1-11,16,35H,12-15,17-20H2,(H,33,38)(H2,34,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147033
PNG
(3-Ureido-2,3,4,9-tetrahydro-1H-carbazole-3-carboxy...)
Show SMILES NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C26H31N5O2/c27-24(33)31-26(14-11-21-19(16-26)18-8-2-3-9-20(18)30-21)23(32)29-17-25(12-5-1-6-13-25)22-10-4-7-15-28-22/h2-4,7-10,15,30H,1,5-6,11-14,16-17H2,(H,29,32)(H3,27,31,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147032
PNG
(3-(3-Ethyl-ureido)-2,3,4,9-tetrahydro-1H-carbazole...)
Show SMILES CCNC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C28H35N5O2/c1-2-29-26(35)33-28(16-13-23-21(18-28)20-10-4-5-11-22(20)32-23)25(34)31-19-27(14-7-3-8-15-27)24-12-6-9-17-30-24/h4-6,9-12,17,32H,2-3,7-8,13-16,18-19H2,1H3,(H,31,34)(H2,29,33,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147034
PNG
(3-[3-(4-Nitro-phenyl)-ureido]-2,3,4,9-tetrahydro-1...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCCc2ccccn2)cc1
Show InChI InChI=1S/C27H26N6O4/c34-25(29-16-13-18-5-3-4-15-28-18)27(32-26(35)30-19-8-10-20(11-9-19)33(36)37)14-12-24-22(17-27)21-6-1-2-7-23(21)31-24/h1-11,15,31H,12-14,16-17H2,(H,29,34)(H2,30,32,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147019
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methoxy-2,...)
Show SMILES COc1cccc2[nH]c3CCC(Cc3c12)(NC(=O)Nc1c(cccc1C(C)C)C(C)C)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C39H49N5O3/c1-25(2)27-13-11-14-28(26(3)4)35(27)43-37(46)44-39(21-18-30-29(23-39)34-31(42-30)15-12-16-32(34)47-5)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46)
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n/an/an/an/a 18n/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147019
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methoxy-2,...)
Show SMILES COc1cccc2[nH]c3CCC(Cc3c12)(NC(=O)Nc1c(cccc1C(C)C)C(C)C)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C39H49N5O3/c1-25(2)27-13-11-14-28(26(3)4)35(27)43-37(46)44-39(21-18-30-29(23-39)34-31(42-30)15-12-16-32(34)47-5)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46)
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n/an/an/an/a 17.7n/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147019
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methoxy-2,...)
Show SMILES COc1cccc2[nH]c3CCC(Cc3c12)(NC(=O)Nc1c(cccc1C(C)C)C(C)C)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C39H49N5O3/c1-25(2)27-13-11-14-28(26(3)4)35(27)43-37(46)44-39(21-18-30-29(23-39)34-31(42-30)15-12-16-32(34)47-5)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 132n/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Agonistic activity was determined against human Neuromedin B receptor transfected in HEK293 cells as accumulation levels of inositol phosphate


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50147021
PNG
(3-[3-(2,6-Diisopropyl-phenyl)-ureido]-2,3,4,9-tetr...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
Show InChI InChI=1S/C38H47N5O2/c1-25(2)27-14-12-15-28(26(3)4)34(27)42-36(45)43-38(21-18-32-30(23-38)29-13-6-7-16-31(29)41-32)35(44)40-24-37(19-9-5-10-20-37)33-17-8-11-22-39-33/h6-8,11-17,22,25-26,41H,5,9-10,18-21,23-24H2,1-4H3,(H,40,44)(H2,42,43,45)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 603n/an/an/an/a



Tularik Inc.

Curated by ChEMBL


Assay Description
Agonistic activity was determined against human Neuromedin B receptor transfected in HEK293 cells as accumulation levels of inositol phosphate


Bioorg Med Chem Lett 14: 3037-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.045
BindingDB Entry DOI: 10.7270/Q2PR7VF7
More data for this
Ligand-Target Pair