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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with all data for entry = 7536   
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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50088373
PNG
(CHEBI:46295 | VARDENAFIL | Vardenafil | cid_110634)
Show SMILES CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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n/an/a 140n/an/an/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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200228
PNG
(AB01275474-01 | cid_24871309)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m0/s1
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n/an/a 1.29E+3n/an/an/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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 1.55E+3n/an/an/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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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n/an/a 3.43E+3n/an/an/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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200233
PNG
(AB00053810_11 | cid_2016)
Show SMILES C[n+]1c2cc(N)ccc2cc2ccc(N)cc12
Show InChI InChI=1S/C14H13N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8H,1H3,(H3,15,16)/p+1
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n/an/a 5.71E+3n/an/an/an/an/an/a



Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM12590
PNG
((6-aminoacridin-3-yl)amine;sulfuric acid;hydrate |...)
Show SMILES Nc1ccc2cc3ccc(N)cc3nc2c1
Show InChI InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
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n/an/a 8.88E+3n/an/an/an/an/an/a



Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.99E+4n/an/an/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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200230
PNG
(AB00984802-01 | cid_73673997)
Show SMILES COc1cc(\C=C(\C#N)c2nc(C)cs2)cc2OCOc12
Show InChI InChI=1S/C15H12N2O3S/c1-9-7-21-15(17-9)11(6-16)3-10-4-12(18-2)14-13(5-10)19-8-20-14/h3-5,7H,8H2,1-2H3/b11-3-
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n/an/a 2.10E+4n/an/an/an/an/an/a



Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200229
PNG
(AB00694549-11 | Atropine | cid_174174)
Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
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n/an/a 2.14E+4n/an/an/an/an/an/a



Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50364890
PNG
(Amixin IC | TILORONE | cid_5475)
Show SMILES CCN(CC)CCOc1ccc2-c3ccc(OCCN(CC)CC)cc3C(=O)c2c1
Show InChI InChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3
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n/an/a 3.03E+4n/an/an/an/an/an/a



Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200232
PNG
(AB01003479-01 | cid_45913338)
Show SMILES O=S(=O)(Nc1ccc(cc1)-c1cn2cccnc2n1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H16N4O4S/c25-29(26,16-6-7-18-19(12-16)28-11-10-27-18)23-15-4-2-14(3-5-15)17-13-24-9-1-8-21-20(24)22-17/h1-9,12-13,23H,10-11H2
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n/an/a>4.90E+4n/an/an/an/an/an/a



Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200234
PNG
(AB00053570_02 | cid_4068)
Show SMILES [O-]C(=O)c1ccccc1-c1c2cc(Br)c(=O)cc2oc2c([Hg])c([O-])c(Br)cc12
Show InChI InChI=1S/C20H9Br2O5.Hg.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;/h1-7,24H,(H,25,26);;1H2/p-2
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200231
PNG
(AB01004372-01 | cid_42067840)
Show SMILES [O-][N+](=O)c1ccc2N(Cc3ccc(cc3F)C#N)CCc2c1
Show InChI InChI=1S/C16H12FN3O2/c17-15-7-11(9-18)1-2-13(15)10-19-6-5-12-8-14(20(21)22)3-4-16(12)19/h1-4,7-8H,5-6,10H2
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n/an/a>6.70E+4n/an/an/an/an/an/a



Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM34168
PNG
(LOVASTATIN | MLS000069585 | SMR000058779 | US91151...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM18376
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...)
Show SMILES COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200235
PNG
(Rifampicin | cid_5381226)
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@H](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
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-/m0/s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200228
PNG
(AB01275474-01 | cid_24871309)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m0/s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50228080
PNG
(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200236
PNG
(AB01274723-01 | cid_23663976)
Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;/t18-,19-;/m1./s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50371229
PNG
(Livalo | PITAVASTATIN CALCIUM | cid_24848419)
Show SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O
Show InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11+/t18-,19-/m1/s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50088373
PNG
(CHEBI:46295 | VARDENAFIL | Vardenafil | cid_110634)
Show SMILES CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50367247
PNG
(QUININE | Quinamm | Quinsan | cid_3034034)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50116766
PNG
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)
Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200238
PNG
(AB00403923-08 | cid_95022)
Show SMILES O=C(C1C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C16H10O3/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)16(13)19/h1-9,13H
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200239
PNG
(AB00723541-02 | cid_5827278)
Show SMILES [O-][N+](=O)c1ccc(\C=C\c2nc(cs2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H11FN2O2S/c18-14-6-4-13(5-7-14)16-11-23-17(19-16)10-3-12-1-8-15(9-2-12)20(21)22/h1-11H/b10-3+
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Southern Research Institute

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BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200241
PNG
(AB00980391-01 | cid_5829212)
Show SMILES Clc1ccc(cc1)-c1cc(\C=C\c2cccc(Cl)c2)c(C#N)c2nc3ccccc3n12
Show InChI InChI=1S/C26H15Cl2N3/c27-20-12-10-18(11-13-20)25-15-19(9-8-17-4-3-5-21(28)14-17)22(16-29)26-30-23-6-1-2-7-24(23)31(25)26/h1-15H/b9-8+
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200243
PNG
(AB00984190-01 | cid_16377116)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CN4CCOCC4)sc3C(C)(C)C2)o1
Show InChI InChI=1S/C24H27N3O3S/c1-16-4-6-18(30-16)7-5-17-12-19-20(14-25)23(31-22(19)24(2,3)13-17)26-21(28)15-27-8-10-29-11-9-27/h4-7,12H,8-11,13,15H2,1-3H3,(H,26,28)/b7-5+
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200245
PNG
(AB00984491-01 | cid_73673798)
Show SMILES Cc1c(\C=C(\C#N)c2ccc(cc2)[N+]([O-])=O)cc(C#N)n1C
Show InChI InChI=1S/C16H12N4O2/c1-11-13(8-16(10-18)19(11)2)7-14(9-17)12-3-5-15(6-4-12)20(21)22/h3-8H,1-2H3/b14-7-
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200247
PNG
(AB00984167-01 | cid_16376379)
Show SMILES CC1(NC(=O)N(CC(=O)c2ccc3OCCOc3c2)C1=O)c1cc(F)ccc1F
Show InChI InChI=1S/C20H16F2N2O5/c1-20(13-9-12(21)3-4-14(13)22)18(26)24(19(27)23-20)10-15(25)11-2-5-16-17(8-11)29-7-6-28-16/h2-5,8-9H,6-7,10H2,1H3,(H,23,27)
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200248
PNG
(AB01001062-01 | cid_42909519)
Show SMILES C(C1CCCO1)N1CCN(CC1)c1nc(nc2scc(-c3ccccc3)c12)-c1ccccn1
Show InChI InChI=1S/C26H27N5OS/c1-2-7-19(8-3-1)21-18-33-26-23(21)25(28-24(29-26)22-10-4-5-11-27-22)31-14-12-30(13-15-31)17-20-9-6-16-32-20/h1-5,7-8,10-11,18,20H,6,9,12-17H2
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200250
PNG
(AB01000744-01 | cid_45917090)
Show SMILES CN1CCCC(C1)Nc1nc2c(Cl)c(C)nn2c2ccccc12
Show InChI InChI=1S/C17H20ClN5/c1-11-15(18)17-20-16(19-12-6-5-9-22(2)10-12)13-7-3-4-8-14(13)23(17)21-11/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,19,20)
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200252
PNG
(AB01000690-01 | cid_45917772)
Show SMILES CN(C)CCSc1nc2ccccc2c2nc(=O)c(nn12)-c1ccccc1
Show InChI InChI=1S/C20H19N5OS/c1-24(2)12-13-27-20-21-16-11-7-6-10-15(16)18-22-19(26)17(23-25(18)20)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200254
PNG
(AB00998676-01 | cid_42923401)
Show SMILES Clc1c(COC(=O)C2=NN(C3CCS(=O)(=O)C3)C(=O)CC2)sc2ccccc12
Show InChI InChI=1S/C18H17ClN2O5S2/c19-17-12-3-1-2-4-14(12)27-15(17)9-26-18(23)13-5-6-16(22)21(20-13)11-7-8-28(24,25)10-11/h1-4,11H,5-10H2
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200256
PNG
(AB00988986-01 | cid_73673937)
Show SMILES CC(=O)c1c(C)[nH]c(-c2csc(n2)C(=C/c2ccc[nH]2)\C#N)c1C
Show InChI InChI=1S/C18H16N4OS/c1-10-16(12(3)23)11(2)21-17(10)15-9-24-18(22-15)13(8-19)7-14-5-4-6-20-14/h4-7,9,20-21H,1-3H3/b13-7-
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200257
PNG
(AB00988524-01 | cid_25529738)
Show SMILES Clc1snnc1CSc1nc(nc2n(C3CC3)c(=O)[nH]c(=O)c12)C1CC1
Show InChI InChI=1S/C15H13ClN6O2S2/c16-10-8(20-21-26-10)5-25-14-9-12(17-11(18-14)6-1-2-6)22(7-3-4-7)15(24)19-13(9)23/h6-7H,1-5H2,(H,19,23,24)
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200259
PNG
(AB00987441-01 | cid_2585136)
Show SMILES Cc1ccccc1Cn1ncc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C12H10Cl2N2O/c1-8-4-2-3-5-9(8)7-16-12(17)11(14)10(13)6-15-16/h2-6H,7H2,1H3
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200261
PNG
(AB00987062-01 | cid_39977303)
Show SMILES Cc1ccsc1\C=c1/s\c(=C/C(=O)c2ccco2)n(C)c1=O
Show InChI InChI=1S/C16H13NO3S2/c1-10-5-7-21-13(10)9-14-16(19)17(2)15(22-14)8-11(18)12-4-3-6-20-12/h3-9H,1-2H3/b14-9-,15-8-
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200263
PNG
(AB00988331-01 | cid_73673967)
Show SMILES COc1cc2CC(C)Oc2cc1\C=C(\C#N)c1nc(C)cs1
Show InChI InChI=1S/C17H16N2O2S/c1-10-9-22-17(19-10)14(8-18)5-13-7-16-12(4-11(2)21-16)6-15(13)20-3/h5-7,9,11H,4H2,1-3H3/b14-5-
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200265
PNG
(AB00986286-01 | cid_17417823)
Show SMILES Clc1ccc2c(c1)[nH]c(CSC1=NCCN1)nc2=O
Show InChI InChI=1S/C12H11ClN4OS/c13-7-1-2-8-9(5-7)16-10(17-11(8)18)6-19-12-14-3-4-15-12/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17,18)
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200266
PNG
(AB00986657-01 | cid_17520970)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCc2sccc2C1
Show InChI InChI=1S/C16H19NO2S2/c1-11-8-12(2)16(13(3)9-11)21(18,19)17-6-4-15-14(10-17)5-7-20-15/h5,7-9H,4,6,10H2,1-3H3
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200268
PNG
(AB00985146-01 | cid_17549916)
Show SMILES Nc1c(c2nc(C#N)c(nc2n1CCCN1CCOCC1)C#N)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClN7O3S/c22-14-2-4-15(5-3-14)33(30,31)19-18-21(27-17(13-24)16(12-23)26-18)29(20(19)25)7-1-6-28-8-10-32-11-9-28/h2-5H,1,6-11,25H2
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200270
PNG
(AB00985144-01 | cid_17549911)
Show SMILES Cn1c(nc2ccccc12)-c1c(N)n(Cc2cccnc2)c2nc(C#N)c(nc12)C#N
Show InChI InChI=1S/C22H15N9/c1-30-17-7-3-2-6-14(17)28-21(30)18-19-22(29-16(10-24)15(9-23)27-19)31(20(18)25)12-13-5-4-8-26-11-13/h2-8,11H,12,25H2,1H3
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200272
PNG
(AB00985701-01 | cid_8425524)
Show SMILES O=C(\C=C\c1ccc(cc1)N1CCOCC1)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C21H20N2O4/c24-19(16-4-8-20-18(13-16)22-21(25)14-27-20)7-3-15-1-5-17(6-2-15)23-9-11-26-12-10-23/h1-8,13H,9-12,14H2,(H,22,25)/b7-3+
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200273
PNG
(AB01006655-01 | cid_45887585)
Show SMILES O=C(NCCN1CCCCCC1=O)C1CCCC1
Show InChI InChI=1S/C14H24N2O2/c17-13-8-2-1-5-10-16(13)11-9-15-14(18)12-6-3-4-7-12/h12H,1-11H2,(H,15,18)
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200274
PNG
(AB01004196-01 | cid_45880860)
Show SMILES CCc1ccc(o1)C(=O)NC1CCN(CC1)C1CC1
Show InChI InChI=1S/C15H22N2O2/c1-2-13-5-6-14(19-13)15(18)16-11-7-9-17(10-8-11)12-3-4-12/h5-6,11-12H,2-4,7-10H2,1H3,(H,16,18)
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UniChem
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n/an/an/an/a>7.60E+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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200276
PNG
(AB01003735-01 | cid_45906904)
Show SMILES Oc1cccc2ccc(\C=C\c3cccc4OCOc34)nc12
Show InChI InChI=1S/C18H13NO3/c20-15-5-1-3-12-7-9-14(19-17(12)15)10-8-13-4-2-6-16-18(13)22-11-21-16/h1-10,20H,11H2/b10-8+
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n/an/an/an/a>6.90E+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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM200277
PNG
(AB01003053-01 | cid_42920332)
Show SMILES CN(Cc1cnn(c1)-c1ccccc1)C(=O)c1cnc2sccn2c1=O
Show InChI InChI=1S/C18H15N5O2S/c1-21(11-13-9-20-23(12-13)14-5-3-2-4-6-14)16(24)15-10-19-18-22(17(15)25)7-8-26-18/h2-10,12H,11H2,1H3
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UniChem
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n/an/an/an/a>5.50E+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
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