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BDBM50023056 CHEMBL290282::[1-Benzyl-4-(1-{2-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2,2-difluoro-1-hydroxy-ethyl}-3-methyl-butylcarbamoyl)-5-phenyl-pent-2-enyl]-carbamic acid tert-butyl ester

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=WDPIRUOBORKRBD-SBGHTQQGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023056   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Renin


(Homo sapiens (Human))		BDBM50023056
PNG
(CHEMBL290282 | [1-Benzyl-4-(1-{2-[1-(1-carbamoyl-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H63F2N5O7/c1-30(2)25-37(40(55)47(48,49)44(59)54-39(26-31(3)4)43(58)53-38(41(50)56)29-34-21-15-10-16-22-34)52-42(57)35(27-32-17-11-8-12-18-32)23-24-36(28-33-19-13-9-14-20-33)51-45(60)61-46(5,6)7/h8-24,30-31,35-40,55H,25-29H2,1-7H3,(H2,50,56)(H,51,60)(H,52,57)(H,53,58)(H,54,59)/b24-23+/t35-,36+,37-,38-,39-,40+/m0/s1
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PubMed
 1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin

J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair