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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50021318   
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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50220270
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(3,5-diflu...)
Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C27H32ClF2N3O5S/c28-20-4-6-23(7-5-20)39(36,37)33-24(19-16-21(29)18-22(30)17-19)2-1-3-25(33)27(8-9-27)38-26(35)32-12-10-31(11-13-32)14-15-34/h4-7,16-18,24-25,34H,1-3,8-15H2/t24-,25+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223244
PNG
(((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropylp...)
Show SMILES OCCN1CCN(CC1)C(=O)OC[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H32ClN3O5S/c23-18-6-8-20(9-7-18)32(29,30)26-19(2-1-3-21(26)17-4-5-17)16-31-22(28)25-12-10-24(11-13-25)14-15-27/h6-9,17,19,21,27H,1-5,10-16H2/t19-,21+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223243
PNG
(((2R,6S)-1-(4-chlorophenylsulfonyl)-6-isopropylpip...)
Show SMILES CC(C)[C@@H]1CCC[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H34ClN3O5S/c1-17(2)21-5-3-4-19(26(21)32(29,30)20-8-6-18(23)7-9-20)16-31-22(28)25-12-10-24(11-13-25)14-15-27/h6-9,17,19,21,27H,3-5,10-16H2,1-2H3/t19-,21+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50220296
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...)
Show SMILES CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H38ClN3O5S/c1-25(2,18-31)29-16-14-28(15-17-29)24(32)35-26(12-13-26)23-5-3-4-22(19-6-7-19)30(23)36(33,34)21-10-8-20(27)9-11-21/h8-11,19,22-23,31H,3-7,12-18H2,1-2H3/t22-,23+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50220298
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...)
Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H34ClN3O5S/c25-19-6-8-20(9-7-19)34(31,32)28-21(18-4-5-18)2-1-3-22(28)24(10-11-24)33-23(30)27-14-12-26(13-15-27)16-17-29/h6-9,18,21-22,29H,1-5,10-17H2/t21-,22+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50220303
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H34ClN3O5S/c1-2-19-4-3-5-21(27(19)33(30,31)20-8-6-18(24)7-9-20)23(10-11-23)32-22(29)26-14-12-25(13-15-26)16-17-28/h6-9,19,21,28H,2-5,10-17H2,1H3/t19-,21-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223248
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(3,5-diflu...)
Show SMILES CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C29H36ClF2N3O5S/c1-28(2,19-36)34-14-12-33(13-15-34)27(37)40-29(10-11-29)26-5-3-4-25(20-16-22(31)18-23(32)17-20)35(26)41(38,39)24-8-6-21(30)7-9-24/h6-9,16-18,25-26,36H,3-5,10-15,19H2,1-2H3/t25-,26+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223255
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-isopropylp...)
Show SMILES CC(C)[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
Show InChI InChI=1S/C26H40ClN3O5S/c1-19(2)22-6-5-7-23(30(22)36(33,34)21-10-8-20(27)9-11-21)26(12-13-26)35-24(32)28-14-16-29(17-15-28)25(3,4)18-31/h8-11,19,22-23,31H,5-7,12-18H2,1-4H3/t22-,23+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223240
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-methylpipe...)
Show SMILES C[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
Show InChI InChI=1S/C24H36ClN3O5S/c1-18-5-4-6-21(28(18)34(31,32)20-9-7-19(25)8-10-20)24(11-12-24)33-22(30)26-13-15-27(16-14-26)23(2,3)17-29/h7-10,18,21,29H,4-6,11-17H2,1-3H3/t18-,21-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223253
PNG
(((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropylp...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCC(CC2)N2CCCCC2)CCC[C@H]1C1CC1
Show InChI InChI=1S/C26H38ClN3O4S/c27-21-9-11-24(12-10-21)35(32,33)30-23(5-4-6-25(30)20-7-8-20)19-34-26(31)29-17-13-22(14-18-29)28-15-2-1-3-16-28/h9-12,20,22-23,25H,1-8,13-19H2/t23-,25+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223241
PNG
(((2R,6S)-1-(4-chlorophenylsulfonyl)-6-isopropylpip...)
Show SMILES CC(C)[C@@H]1CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H40ClN3O4S/c1-20(2)25-8-6-7-23(30(25)35(32,33)24-11-9-21(27)10-12-24)19-34-26(31)29-17-13-22(14-18-29)28-15-4-3-5-16-28/h9-12,20,22-23,25H,3-8,13-19H2,1-2H3/t23-,25+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223245
PNG
(2-(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopr...)
Show SMILES CC(C)(CO)N1CCN(CC1)C(=O)CC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H40ClN3O4S/c1-26(2,19-32)30-16-14-29(15-17-30)25(33)18-27(12-13-27)24-5-3-4-23(20-6-7-20)31(24)36(34,35)22-10-8-21(28)9-11-22/h8-11,20,23-24,32H,3-7,12-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50220291
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
Show InChI InChI=1S/C25H38ClN3O5S/c1-4-20-6-5-7-22(29(20)35(32,33)21-10-8-19(26)9-11-21)25(12-13-25)34-23(31)27-14-16-28(17-15-27)24(2,3)18-30/h8-11,20,22,30H,4-7,12-18H2,1-3H3/t20-,22-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223242
PNG
(CHEMBL248867 | trans-1-(4-chlorophenylsulfonyl)-6-...)
Show SMILES CC[C@@H]1C[C@H](C[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)OC
Show InChI InChI=1S/C26H40ClN3O5S/c1-3-21-17-24(34-2)18-23(30(21)36(32,33)25-9-7-20(27)8-10-25)19-35-26(31)29-15-11-22(12-16-29)28-13-5-4-6-14-28/h7-10,21-24H,3-6,11-19H2,1-2H3/t21-,23-,24-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223249
PNG
(CHEMBL248866 | cis-1-(4-chlorophenylsulfonyl)-6-et...)
Show SMILES CC[C@@H]1C[C@@H](C[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)OC
Show InChI InChI=1S/C26H40ClN3O5S/c1-3-21-17-24(34-2)18-23(30(21)36(32,33)25-9-7-20(27)8-10-25)19-35-26(31)29-15-11-22(12-16-29)28-13-5-4-6-14-28/h7-10,21-24H,3-6,11-19H2,1-2H3/t21-,23-,24+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223239
PNG
(CHEMBL249085 | trans-1-(4-chlorophenylsulfonyl)-6-...)
Show SMILES CC[C@@H]1C[C@H](C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1)OC
Show InChI InChI=1S/C22H34ClN3O6S/c1-3-18-14-20(31-2)15-19(26(18)33(29,30)21-6-4-17(23)5-7-21)16-32-22(28)25-10-8-24(9-11-25)12-13-27/h4-7,18-20,27H,3,8-16H2,1-2H3/t18-,19-,20-/m1/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223250
PNG
(2-(1-((2R,4S,6S)-1-(4-chlorophenylsulfonyl)-6-cycl...)
Show SMILES CC(C)(CO)N1CCN(CC1)C(=O)CC1(CC1)[C@H]1C[C@@H](O)C[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H40ClN3O5S/c1-26(2,18-32)30-13-11-29(12-14-30)25(34)17-27(9-10-27)24-16-21(33)15-23(19-3-4-19)31(24)37(35,36)22-7-5-20(28)6-8-22/h5-8,19,21,23-24,32-33H,3-4,9-18H2,1-2H3/t21-,23-,24+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223247
PNG
(CHEMBL249086 | cis-1-(4-chlorophenylsulfonyl)-6-et...)
Show SMILES CC[C@@H]1C[C@H](O)C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H32ClN3O6S/c1-2-17-13-19(27)14-18(25(17)32(29,30)20-5-3-16(22)4-6-20)15-31-21(28)24-9-7-23(8-10-24)11-12-26/h3-6,17-19,26-27H,2,7-15H2,1H3/t17-,18-,19+/m1/s1
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n/an/a 1.56E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223252
PNG
(1-((2R,4S,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopr...)
Show SMILES CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1C[C@@H](O)C[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H38ClN3O6S/c1-25(2,17-31)29-13-11-28(12-14-29)24(33)36-26(9-10-26)23-16-20(32)15-22(18-3-4-18)30(23)37(34,35)21-7-5-19(27)6-8-21/h5-8,18,20,22-23,31-32H,3-4,9-17H2,1-2H3/t20-,22-,23+/m0/s1
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n/an/a 1.95E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223254
PNG
(CHEMBL248879 | cis-1-(4-chlorophenylsulfonyl)-6-et...)
Show SMILES CC[C@@H]1C[C@H](O)C[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H38ClN3O5S/c1-2-20-16-23(30)17-22(29(20)35(32,33)24-8-6-19(26)7-9-24)18-34-25(31)28-14-10-21(11-15-28)27-12-4-3-5-13-27/h6-9,20-23,30H,2-5,10-18H2,1H3/t20-,22-,23+/m1/s1
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n/an/a 2.43E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223246
PNG
(CHEMBL438525 | cis-1-(4-chlorophenylsulfonyl)-6-et...)
Show SMILES CC[C@@H]1C[C@@H](C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1)OC
Show InChI InChI=1S/C22H34ClN3O6S/c1-3-18-14-20(31-2)15-19(26(18)33(29,30)21-6-4-17(23)5-7-21)16-32-22(28)25-10-8-24(9-11-25)12-13-27/h4-7,18-20,27H,3,8-16H2,1-2H3/t18-,19-,20+/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50223251
PNG
(CHEMBL401323 | trans-1-(4-chlorophenylsulfonyl)-6-...)
Show SMILES CC[C@@H]1C[C@@H](O)C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H32ClN3O6S/c1-2-17-13-19(27)14-18(25(17)32(29,30)20-5-3-16(22)4-6-20)15-31-21(28)24-9-7-23(8-10-24)11-12-26/h3-6,17-19,26-27H,2,7-15H2,1H3/t17-,18-,19-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 30 mins


Bioorg Med Chem Lett 17: 6290-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.006
BindingDB Entry DOI: 10.7270/Q2NS0TMF
More data for this
Ligand-Target Pair