Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50434418' 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)) | BDBM50434418
(CHEMBL2387574)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:5.5,3.3,30.31,wD:7.7,37.40,TLB:29:30:40.36.37:34.33.32,29:30:32:40.37.39,38:37:30:34.33.32,THB:36:35:32:40.37.39,36:37:30.35.34:32,38:37:30.35.34:32,39:37:30:34.33.32,39:33:30:40.36.37,(38.43,-31.11,;37.09,-31.88,;35.76,-31.1,;37.09,-33.42,;35.75,-34.18,;34.42,-33.41,;34.42,-31.87,;33.09,-34.18,;31.75,-33.41,;33.08,-35.72,;31.75,-36.49,;30.41,-35.72,;29.07,-36.49,;27.74,-35.72,;29.08,-38.03,;30.42,-38.8,;31.74,-38.03,;33.23,-38.42,;32.14,-39.51,;27.75,-38.81,;26.41,-38.04,;25.08,-38.81,;23.75,-38.04,;25.08,-40.36,;26.41,-41.13,;27.75,-40.36,;29.09,-41.12,;38.42,-34.19,;38.42,-35.73,;39.76,-33.42,;41.09,-34.19,;42.29,-32.91,;42.28,-31.43,;43.62,-30.95,;42.58,-32.18,;42.59,-33.77,;43.99,-34.34,;45.01,-33.06,;46.09,-34.15,;45.02,-31.53,;43.61,-33.41,)| Show InChI InChI=1S/C32H49FN4O4/c1-18(2)24(30(40)35-29-21-8-20-9-22(29)14-32(41,12-20)13-21)11-27(38)25(34)15-36-16-28(39)37(17-31(36,4)5)26-10-23(33)7-6-19(26)3/h6-7,10,18,20-22,24-25,27,29,38,41H,8-9,11-17,34H2,1-5H3,(H,35,40)/t20?,21?,22?,24-,25-,27-,29-,32-/m0/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 | 1.70 | 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) | BDBM50434418
(CHEMBL2387574)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:5.5,3.3,30.31,wD:7.7,37.40,TLB:29:30:40.36.37:34.33.32,29:30:32:40.37.39,38:37:30:34.33.32,THB:36:35:32:40.37.39,36:37:30.35.34:32,38:37:30.35.34:32,39:37:30:34.33.32,39:33:30:40.36.37,(38.43,-31.11,;37.09,-31.88,;35.76,-31.1,;37.09,-33.42,;35.75,-34.18,;34.42,-33.41,;34.42,-31.87,;33.09,-34.18,;31.75,-33.41,;33.08,-35.72,;31.75,-36.49,;30.41,-35.72,;29.07,-36.49,;27.74,-35.72,;29.08,-38.03,;30.42,-38.8,;31.74,-38.03,;33.23,-38.42,;32.14,-39.51,;27.75,-38.81,;26.41,-38.04,;25.08,-38.81,;23.75,-38.04,;25.08,-40.36,;26.41,-41.13,;27.75,-40.36,;29.09,-41.12,;38.42,-34.19,;38.42,-35.73,;39.76,-33.42,;41.09,-34.19,;42.29,-32.91,;42.28,-31.43,;43.62,-30.95,;42.58,-32.18,;42.59,-33.77,;43.99,-34.34,;45.01,-33.06,;46.09,-34.15,;45.02,-31.53,;43.61,-33.41,)| Show InChI InChI=1S/C32H49FN4O4/c1-18(2)24(30(40)35-29-21-8-20-9-22(29)14-32(41,12-20)13-21)11-27(38)25(34)15-36-16-28(39)37(17-31(36,4)5)26-10-23(33)7-6-19(26)3/h6-7,10,18,20-22,24-25,27,29,38,41H,8-9,11-17,34H2,1-5H3,(H,35,40)/t20?,21?,22?,24-,25-,27-,29-,32-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | 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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