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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 49000285,50004576,50004577,6692   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50156446
PNG
(CHEMBL359553 | N-{2-[4-(4,5-Dihydro-1H-imidazol-2-...)
Show SMILES O=C(C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(cc1)C1=NCCN1 |t:41|
Show InChI InChI=1S/C31H29N5O4S/c37-29(32-16-15-21-9-11-23(12-10-21)30-33-17-18-34-30)20-28-31(38)35-26-7-3-4-8-27(26)36(28)41(39,40)25-14-13-22-5-1-2-6-24(22)19-25/h1-14,19,28H,15-18,20H2,(H,32,37)(H,33,34)(H,35,38)/t28-/m1/s1
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Article
PubMed
n/an/an/a 0.0150n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of the [35S]- radiolabelled compound against human Bradykinin receptor B1 expressed in CHO membranes was determined


Bioorg Med Chem Lett 14: 6045-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.074
BindingDB Entry DOI: 10.7270/Q2V1248Q
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(RAT)
BDBM50408806
PNG
(B-9858 | CHEMBL410358)
Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1C(C[C@@H]2CCCC[C@H]12)C(O)=O
Show InChI InChI=1S/C64H95N15O13/c65-23-9-7-18-44(67)55(83)72-45(19-8-10-24-66)56(84)73-46(20-11-25-70-64(68)69)60(88)77-26-12-22-49(77)61(89)78-34-43(81)32-50(78)58(86)71-33-52(82)75-53(41-27-36-13-1-2-14-37(36)28-41)59(87)74-47(35-80)57(85)76-54(42-29-38-15-3-4-16-39(38)30-42)62(90)79-48-21-6-5-17-40(48)31-51(79)63(91)92/h1-4,13-16,40-51,53-54,80-81H,5-12,17-35,65-67H2,(H,71,86)(H,72,83)(H,73,84)(H,74,87)(H,75,82)(H,76,85)(H,91,92)(H4,68,69,70)/t40-,43?,44-,45-,46-,47-,48-,49-,50-,51?,53-,54+/m0/s1
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Article
PubMed
n/an/an/a 7.94n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)


Article DOI: 10.1021/jm980495r
BindingDB Entry DOI: 10.7270/Q25B03Q8
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(RAT)
BDBM50408815
PNG
(B-9430 | CHEMBL384857)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1C(C[C@@H]2CCCC[C@H]12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C64H95N19O13/c65-42(16-7-21-72-62(66)67)53(87)76-43(17-8-22-73-63(68)69)58(92)81-24-10-20-47(81)59(93)82-32-41(85)30-48(82)55(89)75-31-50(86)79-51(39-25-34-11-1-2-12-35(34)26-39)57(91)78-45(33-84)54(88)80-52(40-27-36-13-3-4-14-37(36)28-40)60(94)83-46-19-6-5-15-38(46)29-49(83)56(90)77-44(61(95)96)18-9-23-74-64(70)71/h1-4,11-14,38-49,51-52,84-85H,5-10,15-33,65H2,(H,75,89)(H,76,87)(H,77,90)(H,78,91)(H,79,86)(H,80,88)(H,95,96)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t38-,41?,42+,43-,44+,45-,46-,47-,48-,49?,51-,52+/m0/s1
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Article
PubMed
n/an/an/a 19.9n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)


Article DOI: 10.1021/jm980495r
BindingDB Entry DOI: 10.7270/Q25B03Q8
More data for this
Ligand-Target Pair