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PubMed code 10882365

Compile data set for download or QSAR
Found 4 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
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50089316
PNG
(CHEMBL410068 | H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-...)
Show SMILES NCCCCC(N)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)NC(CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32?,33?,34-,36?,37?,41?/m1/s1
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PubMed
 0.0230n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human cloned B1 receptor was determined using [3H]-[des-Arg10-Leu9]-kallidin as radioligand

J Med Chem 43: 2387-94 (2000)


BindingDB Entry DOI: 10.7270/Q2N87913
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50089316
PNG
(CHEMBL410068 | H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-...)
Show SMILES NCCCCC(N)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)NC(CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32?,33?,34-,36?,37?,41?/m1/s1
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 9.16n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human cloned B2 receptor was determined using [3H]-BK as radioligand

J Med Chem 43: 2387-94 (2000)


BindingDB Entry DOI: 10.7270/Q2N87913
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50089315
PNG
(CHEMBL80461 | {3-[2-(2-{8-[2-(2,6-Diamino-hexanoyl...)
Show SMILES NCCCCC(N)C(=O)NC(CCCNC(N)=N)C(=O)N1CCC2(CC1)N(CCc1ccccc1)CN(CC(=O)NC(CO)C(=O)N[C@@H]1CSc3ccccc3N(CC(O)=O)C1=O)C2=O
Show InChI InChI=1S/C43H62N12O9S/c44-18-7-6-11-29(45)37(60)50-30(12-8-19-48-42(46)47)39(62)52-21-16-43(17-22-52)41(64)53(27-54(43)20-15-28-9-2-1-3-10-28)23-35(57)49-31(25-56)38(61)51-32-26-65-34-14-5-4-13-33(34)55(40(32)63)24-36(58)59/h1-5,9-10,13-14,29-32,56H,6-8,11-12,15-27,44-45H2,(H,49,57)(H,50,60)(H,51,61)(H,58,59)(H4,46,47,48)/t29?,30?,31?,32-/m1/s1
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 24.1n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human cloned B1 receptor was determined using [3H]-[des-Arg10-Leu9]-kallidin as radioligand

J Med Chem 43: 2387-94 (2000)


BindingDB Entry DOI: 10.7270/Q2N87913
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50089315
PNG
(CHEMBL80461 | {3-[2-(2-{8-[2-(2,6-Diamino-hexanoyl...)
Show SMILES NCCCCC(N)C(=O)NC(CCCNC(N)=N)C(=O)N1CCC2(CC1)N(CCc1ccccc1)CN(CC(=O)NC(CO)C(=O)N[C@@H]1CSc3ccccc3N(CC(O)=O)C1=O)C2=O
Show InChI InChI=1S/C43H62N12O9S/c44-18-7-6-11-29(45)37(60)50-30(12-8-19-48-42(46)47)39(62)52-21-16-43(17-22-52)41(64)53(27-54(43)20-15-28-9-2-1-3-10-28)23-35(57)49-31(25-56)38(61)51-32-26-65-34-14-5-4-13-33(34)55(40(32)63)24-36(58)59/h1-5,9-10,13-14,29-32,56H,6-8,11-12,15-27,44-45H2,(H,49,57)(H,50,60)(H,51,61)(H,58,59)(H4,46,47,48)/t29?,30?,31?,32-/m1/s1
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 1.19E+4n/an/an/an/an/an/an/an/a



Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human cloned B2 receptor was determined using [3H]-BK as radioligand

J Med Chem 43: 2387-94 (2000)


BindingDB Entry DOI: 10.7270/Q2N87913
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%