Found 2 hits for monomerid = 50434419 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) | BDBM50434419
(CHEMBL2387573)Show SMILES CC[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: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,(16.54,-32.48,;15.2,-33.24,;15.2,-34.78,;13.87,-35.55,;12.53,-34.78,;12.54,-33.24,;11.2,-35.55,;9.87,-34.78,;11.2,-37.09,;9.86,-37.86,;8.52,-37.09,;7.19,-37.86,;5.85,-37.09,;7.2,-39.4,;8.53,-40.17,;9.85,-39.4,;11.34,-39.79,;10.25,-40.88,;5.86,-40.17,;4.52,-39.41,;3.19,-40.18,;1.86,-39.41,;3.19,-41.73,;4.53,-42.5,;5.86,-41.72,;7.2,-42.49,;16.53,-35.56,;16.53,-37.1,;17.87,-34.79,;19.2,-35.56,;20.4,-34.28,;20.39,-32.8,;21.74,-32.32,;20.7,-33.55,;20.7,-35.14,;22.11,-35.7,;23.12,-34.43,;24.2,-35.51,;23.13,-32.9,;21.73,-34.77,)| Show InChI InChI=1S/C30H44ClFN4O4/c1-4-18(28(39)34-27-19-7-17-8-20(27)13-30(40,11-17)12-19)9-25(37)23(33)14-35-15-26(38)36(16-29(35,2)3)24-10-21(32)5-6-22(24)31/h5-6,10,17-20,23,25,27,37,40H,4,7-9,11-16,33H2,1-3H3,(H,34,39)/t17?,18-,19?,20?,23+,25+,27-,30-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | 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 | |
Renin
(Homo sapiens (Human)) | BDBM50434419
(CHEMBL2387573)Show SMILES CC[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: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,(16.54,-32.48,;15.2,-33.24,;15.2,-34.78,;13.87,-35.55,;12.53,-34.78,;12.54,-33.24,;11.2,-35.55,;9.87,-34.78,;11.2,-37.09,;9.86,-37.86,;8.52,-37.09,;7.19,-37.86,;5.85,-37.09,;7.2,-39.4,;8.53,-40.17,;9.85,-39.4,;11.34,-39.79,;10.25,-40.88,;5.86,-40.17,;4.52,-39.41,;3.19,-40.18,;1.86,-39.41,;3.19,-41.73,;4.53,-42.5,;5.86,-41.72,;7.2,-42.49,;16.53,-35.56,;16.53,-37.1,;17.87,-34.79,;19.2,-35.56,;20.4,-34.28,;20.39,-32.8,;21.74,-32.32,;20.7,-33.55,;20.7,-35.14,;22.11,-35.7,;23.12,-34.43,;24.2,-35.51,;23.13,-32.9,;21.73,-34.77,)| Show InChI InChI=1S/C30H44ClFN4O4/c1-4-18(28(39)34-27-19-7-17-8-20(27)13-30(40,11-17)12-19)9-25(37)23(33)14-35-15-26(38)36(16-29(35,2)3)24-10-21(32)5-6-22(24)31/h5-6,10,17-20,23,25,27,37,40H,4,7-9,11-16,33H2,1-3H3,(H,34,39)/t17?,18-,19?,20?,23+,25+,27-,30-/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 | 1.40 | 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 | |
Search and Browse
