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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022591'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Renin


(Homo sapiens (Human))		BDBM50022591
PNG
(2,2-Dimethyl-propionic acid 1-[1-(4-{1-[1-carbamoy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C44H67N9O8/c1-11-27(6)36(40(58)51-33(37(45)55)18-29-21-46-23-48-29)53-38(56)31(26(4)5)20-35(54)32(17-25(2)3)50-39(57)34(19-30-22-47-24-49-30)52-41(59)44(10,28-15-13-12-14-16-28)61-42(60)43(7,8)9/h12-16,21-27,31-36,54H,11,17-20H2,1-10H3,(H2,45,55)(H,46,48)(H,47,49)(H,50,57)(H,51,58)(H,52,59)(H,53,56)/t27-,31-,32-,33-,34-,35?,36-,44?/m0/s1
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MMDB

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n/an/a 20n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2

J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair