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PubMed code 11078192

Compile data set for download or QSAR
Found 18 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
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093765
PNG
((R)-3-Amino-N-(4-aminomethyl-benzyl)-2-{2-[(2-cycl...)
Show SMILES NC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1CNC(=O)CC1CCCCC1
Show InChI InChI=1S/C24H35N5O2/c25-14-19-8-10-20(11-9-19)16-28-24(31)22(15-26)29-12-4-7-21(29)17-27-23(30)13-18-5-2-1-3-6-18/h4,7-12,18,22H,1-3,5-6,13-17,25-26H2,(H,27,30)(H,28,31)/t22-/m1/s1
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n/an/an/a 1.01E+5n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093776
PNG
(4-Aminomethyl-N-(2,2-dibutyl-benzo[1,3]dioxol-4-yl...)
Show SMILES CCCCC1(CCCC)Oc2cccc(NC(=O)c3ccc(CN)cc3)c2O1
Show InChI InChI=1S/C23H30N2O3/c1-3-5-14-23(15-6-4-2)27-20-9-7-8-19(21(20)28-23)25-22(26)18-12-10-17(16-24)11-13-18/h7-13H,3-6,14-16,24H2,1-2H3,(H,25,26)
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n/an/an/a 1.30E+4n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093768
PNG
(5-Dibutylamino-pentanoic acid [(S)-1-(4-butyl-pyri...)
Show SMILES CCCCN(CCCC)CCCCC(=O)N[C@@H](CC1CCCCC1)c1cc(CCCC)ccn1
Show InChI InChI=1S/C30H53N3O/c1-4-7-15-27-19-20-31-28(24-27)29(25-26-16-11-10-12-17-26)32-30(34)18-13-14-23-33(21-8-5-2)22-9-6-3/h19-20,24,26,29H,4-18,21-23,25H2,1-3H3,(H,32,34)/t29-/m0/s1
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n/an/an/a 2.30E+4n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093764
PNG
(CHEMBL2369879 | cyclic nonapeptide analogue)
Show SMILES [H][C@@]12CC3CCCCC3N1C(=O)[C@H](CN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)Cc1ccccc1)NC(=O)[C@@]1([H])Cc3ccccc3CN1C2=O)c1ccccc1 |r|
Show InChI InChI=1S/C47H59N9O7/c48-22-12-11-20-34-42(58)52-35(26-49)46(62)56-37-21-10-9-18-32(37)25-39(56)47(63)55-28-33-19-8-7-17-31(33)24-38(55)44(60)53-36(27-50-40(57)23-29-13-3-1-4-14-29)43(59)54-41(45(61)51-34)30-15-5-2-6-16-30/h1-8,13-17,19,32,34-39,41H,9-12,18,20-28,48-49H2,(H,50,57)(H,51,61)(H,52,58)(H,53,60)(H,54,59)/t32?,34-,35-,36-,37?,38+,39-,41-/m0/s1
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n/an/an/a 200n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells; 0.2-16

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093772
PNG
(CHEMBL311191 | N-[3-(7-Dibenzylamino-3-guanidinome...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-1-[#7]=[#6](-c2ccccc2)-c2cc(ccc2-[#7](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6]-1=O)-[#7](-[#6]-c1ccccc1)-[#6]-c1ccccc1 |t:6|
Show InChI InChI=1S/C35H39N9O/c36-34(37)40-19-10-20-44-31-18-17-28(43(23-25-11-4-1-5-12-25)24-26-13-6-2-7-14-26)21-29(31)32(27-15-8-3-9-16-27)42-30(33(44)45)22-41-35(38)39/h1-9,11-18,21,30H,10,19-20,22-24H2,(H4,36,37,40)(H4,38,39,41)
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n/an/an/a 1.20E+4n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093760
PNG
(4-Aminomethyl-N-(3-amino-propyl)-N-(2,2-dibutyl-be...)
Show SMILES CCCCC1(CCCC)Oc2cccc(N(CCCN)C(=O)c3ccc(CN)cc3)c2O1
Show InChI InChI=1S/C26H37N3O3/c1-3-5-15-26(16-6-4-2)31-23-10-7-9-22(24(23)32-26)29(18-8-17-27)25(30)21-13-11-20(19-28)12-14-21/h7,9-14H,3-6,8,15-19,27-28H2,1-2H3
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n/an/an/a 1.40E+4n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093770
PNG
(4-Aminomethyl-N-[(S)-1-(4-butyl-pyridin-2-yl)-2-cy...)
Show SMILES CCCCc1ccnc(c1)[C@H](CC1CCCCC1)NC(=O)c1ccc(CN)cc1
Show InChI InChI=1S/C25H35N3O/c1-2-3-7-20-14-15-27-23(16-20)24(17-19-8-5-4-6-9-19)28-25(29)22-12-10-21(18-26)11-13-22/h10-16,19,24H,2-9,17-18,26H2,1H3,(H,28,29)/t24-/m0/s1
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n/an/an/a 7.40E+3n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093761
PNG
(1-[(R)-5-Amino-1-(4-aminomethyl-benzylcarbamoyl)-p...)
Show SMILES NCCCC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1C(=O)NC(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H39N5O2/c34-20-8-7-14-30(32(39)36-24-27-18-16-26(23-35)17-19-27)38-21-9-15-31(38)33(40)37-29(28-12-5-2-6-13-28)22-25-10-3-1-4-11-25/h1-6,9-13,15-19,21,29-30H,7-8,14,20,22-24,34-35H2,(H,36,39)(H,37,40)/t29?,30-/m1/s1
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n/an/an/a 2.80E+4n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093762
PNG
(3-Aminomethyl-1-(3-amino-propyl)-7-dibenzylamino-5...)
Show SMILES NCCCN1c2ccc(cc2C(=NC(CN)C1=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 |c:12|
Show InChI InChI=1S/C33H35N5O/c34-19-10-20-38-31-18-17-28(37(23-25-11-4-1-5-12-25)24-26-13-6-2-7-14-26)21-29(31)32(27-15-8-3-9-16-27)36-30(22-35)33(38)39/h1-9,11-18,21,30H,10,19-20,22-24,34-35H2
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n/an/an/a 4.30E+3n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093763
PNG
(CHEMBL311969 | N-{3-[7-Dibenzylamino-3-(2-guanidin...)
Show SMILES NC(=N)NCCCN1c2ccc(cc2C(=NC(CCNC(N)=N)C1=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 |c:15|
Show InChI InChI=1S/C36H41N9O/c37-35(38)41-20-10-22-45-32-18-17-29(44(24-26-11-4-1-5-12-26)25-27-13-6-2-7-14-27)23-30(32)33(28-15-8-3-9-16-28)43-31(34(45)46)19-21-42-36(39)40/h1-9,11-18,23,31H,10,19-22,24-25H2,(H4,37,38,41)(H4,39,40,42)
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n/an/an/a 4.50E+3n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093766
PNG
(((2R,4R)-2-Aminomethyl-4-benzyloxy-pyrrolidin-1-yl...)
Show SMILES NC[C@H]1C[C@H](CN1C(=O)c1ccc2ccccc2c1)OCc1ccccc1
Show InChI InChI=1S/C23H24N2O2/c24-14-21-13-22(27-16-17-6-2-1-3-7-17)15-25(21)23(26)20-11-10-18-8-4-5-9-19(18)12-20/h1-12,21-22H,13-16,24H2/t21-,22-/m1/s1
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n/an/an/a 6.60E+4n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50218386
PNG
(CHEMBL3142416)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)N2C3CCCCC3C[C@H]2C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC[C@@H](NC(=O)CCc2ccccc2)C(=O)CCNC1=O |r|
Show InChI InChI=1S/C41H55N9O6/c42-40(43)46-20-8-14-31-37(53)44-22-19-35(51)30(47-36(52)17-16-26-9-2-1-3-10-26)18-21-45-38(54)33-23-27-11-4-5-13-29(27)25-49(33)39(55)34-24-28-12-6-7-15-32(28)50(34)41(56)48-31/h1-5,9-11,13,28,30-34H,6-8,12,14-25H2,(H,44,53)(H,45,54)(H,47,52)(H,48,56)(H4,42,43,46)/t28?,30-,31+,32?,33-,34+/m1/s1
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n/an/an/a 200n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells; 0.2-16

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093773
PNG
(3-(2-Amino-ethyl)-1-(3-amino-propyl)-7-dibenzylami...)
Show SMILES NCCCN1c2ccc(cc2C(=NC(CCN)C1=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 |c:12|
Show InChI InChI=1S/C34H37N5O/c35-20-10-22-39-32-18-17-29(38(24-26-11-4-1-5-12-26)25-27-13-6-2-7-14-27)23-30(32)33(28-15-8-3-9-16-28)37-31(19-21-36)34(39)40/h1-9,11-18,23,31H,10,19-22,24-25,35-36H2
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n/an/an/a 1.50E+4n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093774
PNG
(CHEMBL310531 | N-[(2R,4R)-4-Benzyloxy-1-(naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-c1ccc2ccccc2c1)-[#8]-[#6]-c1ccccc1
Show InChI InChI=1S/C24H26N4O2/c25-24(26)27-14-21-13-22(30-16-17-6-2-1-3-7-17)15-28(21)23(29)20-11-10-18-8-4-5-9-19(18)12-20/h1-12,21-22H,13-16H2,(H4,25,26,27)/t21-,22-/m1/s1
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n/an/an/a 1.50E+4n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093775
PNG
(5-Amino-pentanoic acid [(S)-1-(4-butyl-pyridin-2-y...)
Show SMILES CCCCc1ccnc(c1)[C@H](CC1CCCCC1)NC(=O)CCCCN
Show InChI InChI=1S/C22H37N3O/c1-2-3-9-19-13-15-24-20(16-19)21(17-18-10-5-4-6-11-18)25-22(26)12-7-8-14-23/h13,15-16,18,21H,2-12,14,17,23H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/an/a 6.20E+4n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093771
PNG
(CHEMBL79057 | N-[(S)-1-(4-Butyl-pyridin-2-yl)-2-cy...)
Show SMILES CCCCc1ccnc(c1)[C@H](CC1CCCCC1)NC(=O)c1ccc(CNC(N)=N)cc1
Show InChI InChI=1S/C26H37N5O/c1-2-3-7-20-14-15-29-23(16-20)24(17-19-8-5-4-6-9-19)31-25(32)22-12-10-21(11-13-22)18-30-26(27)28/h10-16,19,24H,2-9,17-18H2,1H3,(H,31,32)(H4,27,28,30)/t24-/m0/s1
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n/an/an/a 5.00E+3n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093759
PNG
((R)-3-Amino-N-(4-aminomethyl-benzyl)-2-{2-[(2-cycl...)
Show SMILES NC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1CNC(=O)C(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39N5O2/c31-18-22-13-15-23(16-14-22)20-33-29(36)27(19-32)35-17-7-12-26(35)21-34-30(37)28(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1,3-4,7-9,12-17,25,27-28H,2,5-6,10-11,18-21,31-32H2,(H,33,36)(H,34,37)/t27-,28?/m1/s1
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n/an/an/a 1.70E+4n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50093767
PNG
(1-(3-Aminomethyl-benzyl)-6,6-dibenzyl-1,4,5,6-tetr...)
Show SMILES NCc1cccc(Cn2ccc3CCC(Cc4ccccc4)(Cc4ccccc4)C(=O)c23)c1
Show InChI InChI=1S/C30H30N2O/c31-21-25-12-7-13-26(18-25)22-32-17-15-27-14-16-30(29(33)28(27)32,19-23-8-3-1-4-9-23)20-24-10-5-2-6-11-24/h1-13,15,17-18H,14,16,19-22,31H2
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n/an/an/a 7.60E+3n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%