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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Guanylate cyclase soluble subunit alpha-1' and Ligand = 'BDBM281743'   
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
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))		BDBM281743
PNG
(US10023528, Example 35 | US10259776, Example 35)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(CC1CC1)CC(O)=O)c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H24Cl2F3NO3/c1-13(24(27,28)29)22(15-4-7-18(25)8-5-15)23(33)30-20-11-16(6-9-19(20)26)17(12-21(31)32)10-14-2-3-14/h4-9,11,13-14,17,22H,2-3,10,12H2,1H3,(H,30,33)(H,31,32)/t13-,17?,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/an/an/an/a



Institut de Biologie Structurale



Assay Description
Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...

J Med Chem 51: 1115-25 (2008)


BindingDB Entry DOI: 10.7270/Q27083RX
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))		BDBM281743
PNG
(US10023528, Example 35 | US10259776, Example 35)
Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(CC1CC1)CC(O)=O)c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H24Cl2F3NO3/c1-13(24(27,28)29)22(15-4-7-18(25)8-5-15)23(33)30-20-11-16(6-9-19(20)26)17(12-21(31)32)10-14-2-3-14/h4-9,11,13-14,17,22H,2-3,10,12H2,1H3,(H,30,33)(H,31,32)/t13-,17?,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To carry out the assay, 29 μl of enzyme solution [0-10 nM soluble guanylate cyclase (prepared according to Hönicka et al, J. Mol. Med. 77, 14-23...

US Patent US10023528 (2018)


BindingDB Entry DOI: 10.7270/Q21N834J
More data for this
Ligand-Target Pair