Found 2 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor A/B' and Ligand = 'BDBM50472359' 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) | BDBM50472359
(CHEMBL411733)Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCS2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:60.65,47.49,27.37,8.9,1.0,wD:4.46,20.26,64.68,38.41,(11.31,-12.86,;10.64,-11.11,;11.95,-11.95,;13.14,-10.97,;12.56,-9.53,;11.02,-9.62,;10.62,-8.13,;11.7,-7.03,;9.52,-7.03,;10.01,-5.56,;11.09,-4.46,;12.6,-4.86,;13.67,-3.76,;13.28,-2.26,;14.35,-1.17,;11.76,-1.87,;10.67,-2.99,;7.79,-7.29,;7.05,-8.63,;5.55,-8.24,;7.05,-10.18,;7.44,-11.65,;8.73,-12.98,;10.23,-12.61,;5.72,-9.41,;4.39,-10.18,;4.39,-11.72,;3.06,-9.41,;3.06,-7.87,;4.39,-7.1,;4.39,-5.56,;5.72,-4.79,;5.72,-3.25,;7.05,-2.48,;4.39,-2.48,;1.71,-10.18,;.38,-9.41,;.38,-7.87,;-.95,-10.18,;-2.29,-9.41,;-.95,-11.72,;-2.29,-12.49,;-3.62,-11.72,;-2.29,-14.03,;13.89,-8.75,;13.88,-7.21,;15.24,-9.5,;16.55,-8.73,;16.54,-7.19,;17.87,-6.4,;19.4,-6.4,;19.89,-4.93,;18.64,-4.02,;17.39,-4.93,;17.9,-9.48,;17.9,-11.02,;19.23,-8.7,;18.74,-7.23,;19.98,-6.33,;21.24,-7.23,;20.77,-8.7,;22.1,-9.47,;22.1,-11.01,;23.43,-8.69,;24.76,-9.46,;24.78,-11,;25.53,-12.33,;27.05,-12.33,;27.82,-13.65,;27.05,-14.98,;25.51,-14.96,;24.76,-13.65,;26.09,-8.68,;27.42,-9.43,;26.09,-7.14,)| Show InChI InChI=1S/C48H63N13O12S/c49-30(23-39(63)64)40(65)55-31(8-4-17-53-48(50)51)41(66)56-32-16-19-74-38-15-14-37(61(38)46(71)33(57-42(32)67)20-27-10-12-29(62)13-11-27)44(69)58-34(22-28-24-52-25-54-28)45(70)60-18-5-9-36(60)43(68)59-35(47(72)73)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-38,62H,4-5,8-9,14-23,49H2,(H,52,54)(H,55,65)(H,56,66)(H,57,67)(H,58,69)(H,59,68)(H,63,64)(H,72,73)(H4,50,51,53)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 750 | 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) | BDBM50472359
(CHEMBL411733)Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCS2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:60.65,47.49,27.37,8.9,1.0,wD:4.46,20.26,64.68,38.41,(11.31,-12.86,;10.64,-11.11,;11.95,-11.95,;13.14,-10.97,;12.56,-9.53,;11.02,-9.62,;10.62,-8.13,;11.7,-7.03,;9.52,-7.03,;10.01,-5.56,;11.09,-4.46,;12.6,-4.86,;13.67,-3.76,;13.28,-2.26,;14.35,-1.17,;11.76,-1.87,;10.67,-2.99,;7.79,-7.29,;7.05,-8.63,;5.55,-8.24,;7.05,-10.18,;7.44,-11.65,;8.73,-12.98,;10.23,-12.61,;5.72,-9.41,;4.39,-10.18,;4.39,-11.72,;3.06,-9.41,;3.06,-7.87,;4.39,-7.1,;4.39,-5.56,;5.72,-4.79,;5.72,-3.25,;7.05,-2.48,;4.39,-2.48,;1.71,-10.18,;.38,-9.41,;.38,-7.87,;-.95,-10.18,;-2.29,-9.41,;-.95,-11.72,;-2.29,-12.49,;-3.62,-11.72,;-2.29,-14.03,;13.89,-8.75,;13.88,-7.21,;15.24,-9.5,;16.55,-8.73,;16.54,-7.19,;17.87,-6.4,;19.4,-6.4,;19.89,-4.93,;18.64,-4.02,;17.39,-4.93,;17.9,-9.48,;17.9,-11.02,;19.23,-8.7,;18.74,-7.23,;19.98,-6.33,;21.24,-7.23,;20.77,-8.7,;22.1,-9.47,;22.1,-11.01,;23.43,-8.69,;24.76,-9.46,;24.78,-11,;25.53,-12.33,;27.05,-12.33,;27.82,-13.65,;27.05,-14.98,;25.51,-14.96,;24.76,-13.65,;26.09,-8.68,;27.42,-9.43,;26.09,-7.14,)| Show InChI InChI=1S/C48H63N13O12S/c49-30(23-39(63)64)40(65)55-31(8-4-17-53-48(50)51)41(66)56-32-16-19-74-38-15-14-37(61(38)46(71)33(57-42(32)67)20-27-10-12-29(62)13-11-27)44(69)58-34(22-28-24-52-25-54-28)45(70)60-18-5-9-36(60)43(68)59-35(47(72)73)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-38,62H,4-5,8-9,14-23,49H2,(H,52,54)(H,55,65)(H,56,66)(H,57,67)(H,58,69)(H,59,68)(H,63,64)(H,72,73)(H4,50,51,53)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | 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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