Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50434424' 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 |
|---|
Renin
(Homo sapiens (Human)) | BDBM50434424
(CHEMBL2387568)Show SMILES C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:3.3,1.0,27.28,wD:5.5,34.37,TLB:26:27:37.33.34:31.30.29,26:27:29:37.34.36,35:34:27:31.30.29,THB:33:32:29:37.34.36,33:34:27.32.31:29,36:34:27:31.30.29,36:30:27:37.33.34,(36.05,-54.18,;36.05,-55.72,;34.71,-56.49,;33.38,-55.72,;33.38,-54.18,;32.04,-56.49,;30.71,-55.71,;32.04,-58.03,;30.71,-58.79,;29.37,-58.03,;28.03,-58.8,;26.7,-58.03,;28.04,-60.33,;29.38,-61.1,;30.7,-60.33,;32.19,-60.73,;31.1,-61.82,;26.7,-61.11,;25.37,-60.35,;24.04,-61.12,;24.04,-62.66,;25.37,-63.43,;26.71,-62.66,;28.04,-63.43,;37.38,-56.49,;37.38,-58.03,;38.71,-55.73,;40.05,-56.5,;41.24,-55.22,;41.23,-53.74,;42.58,-53.26,;41.54,-54.49,;41.55,-56.08,;42.95,-56.64,;43.97,-55.37,;45.29,-56.13,;43.98,-53.84,;42.57,-55.71,)| Show InChI InChI=1S/C29H43ClN4O4/c1-17(27(37)32-26-19-9-18-10-20(26)13-29(38,11-18)12-19)8-24(35)22(31)14-33-15-25(36)34(16-28(33,2)3)23-7-5-4-6-21(23)30/h4-7,17-20,22,24,26,35,38H,8-16,31H2,1-3H3,(H,32,37)/t17-,18?,19?,20?,22+,24+,26-,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min... |
Bioorg Med Chem 21: 3175-96 (2013)
Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK |
More data for this
Ligand-Target Pair | |
Renin
(Macaca fascicularis) | BDBM50434424
(CHEMBL2387568)Show SMILES C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:3.3,1.0,27.28,wD:5.5,34.37,TLB:26:27:37.33.34:31.30.29,26:27:29:37.34.36,35:34:27:31.30.29,THB:33:32:29:37.34.36,33:34:27.32.31:29,36:34:27:31.30.29,36:30:27:37.33.34,(36.05,-54.18,;36.05,-55.72,;34.71,-56.49,;33.38,-55.72,;33.38,-54.18,;32.04,-56.49,;30.71,-55.71,;32.04,-58.03,;30.71,-58.79,;29.37,-58.03,;28.03,-58.8,;26.7,-58.03,;28.04,-60.33,;29.38,-61.1,;30.7,-60.33,;32.19,-60.73,;31.1,-61.82,;26.7,-61.11,;25.37,-60.35,;24.04,-61.12,;24.04,-62.66,;25.37,-63.43,;26.71,-62.66,;28.04,-63.43,;37.38,-56.49,;37.38,-58.03,;38.71,-55.73,;40.05,-56.5,;41.24,-55.22,;41.23,-53.74,;42.58,-53.26,;41.54,-54.49,;41.55,-56.08,;42.95,-56.64,;43.97,-55.37,;45.29,-56.13,;43.98,-53.84,;42.57,-55.71,)| Show InChI InChI=1S/C29H43ClN4O4/c1-17(27(37)32-26-19-9-18-10-20(26)13-29(38,11-18)12-19)8-24(35)22(31)14-33-15-25(36)34(16-28(33,2)3)23-7-5-4-6-21(23)30/h4-7,17-20,22,24,26,35,38H,8-16,31H2,1-3H3,(H,32,37)/t17-,18?,19?,20?,22+,24+,26-,29-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of renin in cynomolgus monkey plasma after 1 hr by RIA |
Bioorg Med Chem 21: 3175-96 (2013)
Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK |
More data for this
Ligand-Target Pair | |
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