Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50434417' 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)) | BDBM50434417
(CHEMBL2387575)Show SMILES CC[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:4.4,2.2,29.30,wD:6.6,36.39,TLB:28:29:39.35.36:33.32.31,28:29:31:39.36.38,37:36:29:33.32.31,THB:35:34:31:39.36.38,35:36:29.34.33:31,37:36:29.34.33:31,38:36:29:33.32.31,38:32:29:39.35.36,(15.69,-45.87,;14.36,-46.64,;14.35,-48.18,;13.02,-48.95,;11.69,-48.17,;11.69,-46.63,;10.35,-48.94,;9.02,-48.17,;10.35,-50.48,;9.01,-51.25,;7.68,-50.48,;6.34,-51.25,;5,-50.49,;6.35,-52.79,;7.68,-53.56,;9.01,-52.79,;10.49,-53.19,;9.41,-54.27,;5.01,-53.57,;3.68,-52.8,;2.35,-53.57,;1.01,-52.81,;2.34,-55.12,;3.68,-55.89,;5.02,-55.12,;6.35,-55.89,;15.69,-48.95,;15.68,-50.49,;17.02,-48.18,;18.35,-48.95,;19.55,-47.68,;19.54,-46.19,;20.89,-45.71,;19.85,-46.94,;19.85,-48.53,;21.26,-49.1,;22.27,-47.82,;23.36,-48.91,;22.28,-46.29,;20.88,-48.17,)| Show InChI InChI=1S/C31H47FN4O4/c1-5-20(29(39)34-28-21-8-19-9-22(28)14-31(40,12-19)13-21)10-26(37)24(33)15-35-16-27(38)36(17-30(35,3)4)25-11-23(32)7-6-18(25)2/h6-7,11,19-22,24,26,28,37,40H,5,8-10,12-17,33H2,1-4H3,(H,34,39)/t19?,20-,21?,22?,24+,26+,28-,31-/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 | 1.60 | 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) | BDBM50434417
(CHEMBL2387575)Show SMILES CC[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:4.4,2.2,29.30,wD:6.6,36.39,TLB:28:29:39.35.36:33.32.31,28:29:31:39.36.38,37:36:29:33.32.31,THB:35:34:31:39.36.38,35:36:29.34.33:31,37:36:29.34.33:31,38:36:29:33.32.31,38:32:29:39.35.36,(15.69,-45.87,;14.36,-46.64,;14.35,-48.18,;13.02,-48.95,;11.69,-48.17,;11.69,-46.63,;10.35,-48.94,;9.02,-48.17,;10.35,-50.48,;9.01,-51.25,;7.68,-50.48,;6.34,-51.25,;5,-50.49,;6.35,-52.79,;7.68,-53.56,;9.01,-52.79,;10.49,-53.19,;9.41,-54.27,;5.01,-53.57,;3.68,-52.8,;2.35,-53.57,;1.01,-52.81,;2.34,-55.12,;3.68,-55.89,;5.02,-55.12,;6.35,-55.89,;15.69,-48.95,;15.68,-50.49,;17.02,-48.18,;18.35,-48.95,;19.55,-47.68,;19.54,-46.19,;20.89,-45.71,;19.85,-46.94,;19.85,-48.53,;21.26,-49.1,;22.27,-47.82,;23.36,-48.91,;22.28,-46.29,;20.88,-48.17,)| Show InChI InChI=1S/C31H47FN4O4/c1-5-20(29(39)34-28-21-8-19-9-22(28)14-31(40,12-19)13-21)10-26(37)24(33)15-35-16-27(38)36(17-30(35,3)4)25-11-23(32)7-6-18(25)2/h6-7,11,19-22,24,26,28,37,40H,5,8-10,12-17,33H2,1-4H3,(H,34,39)/t19?,20-,21?,22?,24+,26+,28-,31-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | 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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