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SMILES: CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)\C(C)=C/C=C/C(C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C

InChI Key: InChIKey=FZYOVNIOYYPUPY-QPASZNTLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 200294   
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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM200294
PNG
(AB00052086_02 | cid_5702112)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)\C(C)=C/C=C/C(C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C |wU:41.43,37.39,43.45,6.6,wD:45.47,2.1,39.41,50.53,c:33,t:3,35,54,(15.2,-5.61,;13.75,-5.11,;13.45,-3.6,;14.83,-2.92,;16.11,-3.78,;17.49,-3.1,;17.6,-1.56,;19.09,-1.94,;18.22,-.17,;17.09,.86,;15.75,.09,;16.08,-1.41,;16.55,-2.87,;14.42,.86,;13.04,.04,;14.39,-.72,;11.65,.83,;10.32,.05,;9.54,1.38,;9.54,2.92,;10.87,3.7,;10.86,5.24,;9.52,6,;9.52,7.54,;8.19,5.23,;8.2,3.69,;11.65,2.43,;10.26,1.76,;9.24,.62,;8.4,-.67,;7.96,1.48,;7.53,2.96,;6.58,.8,;6.47,-.73,;5.09,-1.41,;4.59,-2.87,;3.08,-3.16,;5.6,-4.03,;4.59,-5.18,;7.14,-4.13,;6.9,-5.65,;8,-2.85,;6.57,-2.29,;9.51,-2.56,;9.41,-1.02,;10.79,-3.42,;11.09,-4.93,;10.59,-6.38,;11.6,-7.54,;9.08,-6.68,;12.17,-2.74,;13.68,-2.44,;13.04,3.22,;13.06,4.76,;14.42,2.4,;15.75,3.17,;15.75,4.71,;17.09,2.4,;18.42,3.17,)|
Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21?,23-,24-,25-,29+,34+,35-,39+,43+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair