Found 2 hits for monomerid = 50434420 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Renin
(Macaca fascicularis) | BDBM50434420
(CHEMBL2387572)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)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,(40.42,-16.49,;39.09,-17.26,;37.76,-16.49,;39.09,-18.8,;37.75,-19.57,;36.42,-18.8,;36.42,-17.26,;35.08,-19.56,;33.75,-18.79,;35.08,-21.1,;33.75,-21.87,;32.41,-21.1,;31.07,-21.87,;29.74,-21.11,;31.08,-23.41,;32.42,-24.18,;33.74,-23.41,;35.23,-23.81,;34.14,-24.9,;29.74,-24.19,;28.41,-23.43,;27.08,-24.2,;25.75,-23.43,;27.08,-25.74,;28.41,-26.51,;29.75,-25.74,;31.08,-26.51,;40.42,-19.57,;40.42,-21.11,;41.75,-18.8,;43.09,-19.58,;44.28,-18.3,;44.27,-16.81,;45.62,-16.34,;44.58,-17.56,;44.59,-19.16,;45.99,-19.72,;47.01,-18.44,;48.09,-19.53,;47.02,-16.91,;45.61,-18.79,)| Show InChI InChI=1S/C31H46ClFN4O4/c1-17(2)22(29(40)35-28-19-7-18-8-20(28)13-31(41,11-18)12-19)10-26(38)24(34)14-36-15-27(39)37(16-30(36,3)4)25-9-21(33)5-6-23(25)32/h5-6,9,17-20,22,24,26,28,38,41H,7-8,10-16,34H2,1-4H3,(H,35,40)/t18?,19?,20?,22-,24-,26-,28-,31-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | 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 | |
Renin
(Homo sapiens (Human)) | BDBM50434420
(CHEMBL2387572)Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)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,(40.42,-16.49,;39.09,-17.26,;37.76,-16.49,;39.09,-18.8,;37.75,-19.57,;36.42,-18.8,;36.42,-17.26,;35.08,-19.56,;33.75,-18.79,;35.08,-21.1,;33.75,-21.87,;32.41,-21.1,;31.07,-21.87,;29.74,-21.11,;31.08,-23.41,;32.42,-24.18,;33.74,-23.41,;35.23,-23.81,;34.14,-24.9,;29.74,-24.19,;28.41,-23.43,;27.08,-24.2,;25.75,-23.43,;27.08,-25.74,;28.41,-26.51,;29.75,-25.74,;31.08,-26.51,;40.42,-19.57,;40.42,-21.11,;41.75,-18.8,;43.09,-19.58,;44.28,-18.3,;44.27,-16.81,;45.62,-16.34,;44.58,-17.56,;44.59,-19.16,;45.99,-19.72,;47.01,-18.44,;48.09,-19.53,;47.02,-16.91,;45.61,-18.79,)| Show InChI InChI=1S/C31H46ClFN4O4/c1-17(2)22(29(40)35-28-19-7-18-8-20(28)13-31(41,11-18)12-19)10-26(38)24(34)14-36-15-27(39)37(16-30(36,3)4)25-9-21(33)5-6-23(25)32/h5-6,9,17-20,22,24,26,28,38,41H,7-8,10-16,34H2,1-4H3,(H,35,40)/t18?,19?,20?,22-,24-,26-,28-,31-/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 | 1.90 | 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 | |
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