Found 2 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor A/B' and Ligand = 'BDBM50472361' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50472361
(CHEMBL406349)Show SMILES N[C@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O |wU:59.63,46.47,9.8,31.31,wD:20.19,27.44,63.66,1.0,(-2.49,-6.28,;-2.47,-4.62,;-3.84,-3.93,;-5.11,-4.77,;-5.13,-6.21,;-6.53,-4.07,;-1.11,-3.93,;-1.11,-2.41,;.19,-4.74,;1.56,-4.01,;1.59,-2.47,;2.96,-1.73,;2.99,-.19,;4.35,.53,;4.39,2.07,;5.75,2.8,;3.09,2.89,;2.87,-4.81,;2.68,-3.3,;4.21,-5.54,;5.55,-4.77,;5.54,-3.23,;6.63,-2.13,;7.96,-1.36,;11.63,-.89,;13.17,-.89,;14.26,-1.99,;13.54,-3.36,;12.02,-3.43,;10.48,-3.48,;9.64,-2.18,;9.76,-4.85,;10.66,-6.02,;9.85,-7.26,;10.53,-8.56,;9.71,-9.78,;8.24,-9.71,;7.43,-10.95,;7.57,-8.41,;8.36,-7.17,;8.22,-4.77,;6.89,-5.54,;6.89,-7.08,;14.37,-4.67,;14.36,-6.19,;15.85,-4.25,;17.23,-4.78,;17.41,-6.19,;16.4,-7.33,;15.13,-6.82,;14.1,-7.96,;14.75,-9.19,;16.19,-8.82,;18.23,-3.64,;17.74,-2.18,;19.74,-3.95,;19.74,-2.41,;21.22,-1.94,;22.12,-3.13,;21.21,-4.39,;21.7,-5.86,;20.68,-7.01,;23.2,-6.16,;24.74,-6.17,;25.76,-4.98,;24.97,-3.64,;23.43,-3.64,;22.64,-2.29,;23.43,-.94,;24.97,-.94,;25.76,-2.29,;25.25,-7.63,;24.37,-8.87,;26.67,-7.65,)| Show InChI InChI=1S/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)42(67)58-35(22-28-24-51-25-53-28)45(70)60-17-5-9-37(60)44(69)59-36(46(71)72)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-37,61H,4-5,8-9,14-23,48H2,(H,51,53)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,69)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31+,32-,33-,34-,35-,36-,37+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Angiotensin II receptor, type 1 from rat liver membranes |
J Med Chem 42: 4524-37 (1999)
Article DOI: 10.1021/jm991089q
BindingDB Entry DOI: 10.7270/Q2PN98C1 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50472361
(CHEMBL406349)Show SMILES N[C@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O |wU:59.63,46.47,9.8,31.31,wD:20.19,27.44,63.66,1.0,(-2.49,-6.28,;-2.47,-4.62,;-3.84,-3.93,;-5.11,-4.77,;-5.13,-6.21,;-6.53,-4.07,;-1.11,-3.93,;-1.11,-2.41,;.19,-4.74,;1.56,-4.01,;1.59,-2.47,;2.96,-1.73,;2.99,-.19,;4.35,.53,;4.39,2.07,;5.75,2.8,;3.09,2.89,;2.87,-4.81,;2.68,-3.3,;4.21,-5.54,;5.55,-4.77,;5.54,-3.23,;6.63,-2.13,;7.96,-1.36,;11.63,-.89,;13.17,-.89,;14.26,-1.99,;13.54,-3.36,;12.02,-3.43,;10.48,-3.48,;9.64,-2.18,;9.76,-4.85,;10.66,-6.02,;9.85,-7.26,;10.53,-8.56,;9.71,-9.78,;8.24,-9.71,;7.43,-10.95,;7.57,-8.41,;8.36,-7.17,;8.22,-4.77,;6.89,-5.54,;6.89,-7.08,;14.37,-4.67,;14.36,-6.19,;15.85,-4.25,;17.23,-4.78,;17.41,-6.19,;16.4,-7.33,;15.13,-6.82,;14.1,-7.96,;14.75,-9.19,;16.19,-8.82,;18.23,-3.64,;17.74,-2.18,;19.74,-3.95,;19.74,-2.41,;21.22,-1.94,;22.12,-3.13,;21.21,-4.39,;21.7,-5.86,;20.68,-7.01,;23.2,-6.16,;24.74,-6.17,;25.76,-4.98,;24.97,-3.64,;23.43,-3.64,;22.64,-2.29,;23.43,-.94,;24.97,-.94,;25.76,-2.29,;25.25,-7.63,;24.37,-8.87,;26.67,-7.65,)| Show InChI InChI=1S/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)42(67)58-35(22-28-24-51-25-53-28)45(70)60-17-5-9-37(60)44(69)59-36(46(71)72)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-37,61H,4-5,8-9,14-23,48H2,(H,51,53)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,69)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31+,32-,33-,34-,35-,36-,37+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against rat Angiotensin II receptor, type 1 expressed in CHO cells |
J Med Chem 42: 4524-37 (1999)
Article DOI: 10.1021/jm991089q
BindingDB Entry DOI: 10.7270/Q2PN98C1 |
More data for this
Ligand-Target Pair | |
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