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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'Membrane-bound transcription factor site-1 protease'   
Target
(Institution)
LigandTarget
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
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216194
PNG
(CHEMBL391935 | N-(2-chlorophenethyl)-N-(pyrrolidin...)
Show SMILES Cc1ccccc1C1CCCN(Cc2ccc(cc2)C(=O)N(CCc2ccccc2Cl)C2CCNC2)C1
Show InChI InChI=1S/C32H38ClN3O/c1-24-7-2-4-10-30(24)28-9-6-19-35(23-28)22-25-12-14-27(15-13-25)32(37)36(29-16-18-34-21-29)20-17-26-8-3-5-11-31(26)33/h2-5,7-8,10-15,28-29,34H,6,9,16-23H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216201
PNG
(CHEMBL233987 | N-(2-methoxyphenethyl)-4-(6-aza-bic...)
Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CC3CC2CCC3)cc1
Show InChI InChI=1S/C28H37N3O2/c1-33-27-8-3-2-6-23(27)14-16-31(26-13-15-29-18-26)28(32)24-11-9-21(10-12-24)19-30-20-22-5-4-7-25(30)17-22/h2-3,6,8-12,22,25-26,29H,4-5,7,13-20H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216180
PNG
(CHEMBL233799 | N-(2-methoxyphenethyl)-N-(pyrrolidi...)
Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CCCC(C2)c2ccccc2C)cc1
Show InChI InChI=1S/C33H41N3O2/c1-25-8-3-5-11-31(25)29-10-7-20-35(24-29)23-26-13-15-28(16-14-26)33(37)36(30-17-19-34-22-30)21-18-27-9-4-6-12-32(27)38-2/h3-6,8-9,11-16,29-30,34H,7,10,17-24H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216199
PNG
(4-(2-aza-bicyclo[2.2.1]heptan-2-ylmethyl)-N-(2-met...)
Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CC3CCC2C3)cc1
Show InChI InChI=1S/C27H35N3O2/c1-32-26-5-3-2-4-22(26)13-15-30(25-12-14-28-17-25)27(31)23-9-6-20(7-10-23)18-29-19-21-8-11-24(29)16-21/h2-7,9-10,21,24-25,28H,8,11-19H2,1H3
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n/an/a 95n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216188
PNG
(CHEMBL233422 | N-(2-methoxyphenethyl)-4-(((1S,2S)-...)
Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN[C@H]2CCCC[C@@H]2O)cc1
Show InChI InChI=1S/C27H37N3O3/c1-33-26-9-5-2-6-21(26)15-17-30(23-14-16-28-19-23)27(32)22-12-10-20(11-13-22)18-29-24-7-3-4-8-25(24)31/h2,5-6,9-13,23-25,28-29,31H,3-4,7-8,14-19H2,1H3/t23?,24-,25-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216193
PNG
(CHEMBL233609 | N-(2-methoxyphenethyl)-4-(((S)-2-(m...)
Show SMILES COC[C@@H]1CCCN1Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)C1CCNC1
Show InChI InChI=1S/C27H37N3O3/c1-32-20-25-7-5-16-29(25)19-21-9-11-23(12-10-21)27(31)30(24-13-15-28-18-24)17-14-22-6-3-4-8-26(22)33-2/h3-4,6,8-12,24-25,28H,5,7,13-20H2,1-2H3/t24?,25-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216197
PNG
(CHEMBL233610 | N-(2-methoxyphenethyl)-4-(((S)-2-(m...)
Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CCCC(C2)C(N)=O)cc1
Show InChI InChI=1S/C27H36N4O3/c1-34-25-7-3-2-5-21(25)13-16-31(24-12-14-29-17-24)27(33)22-10-8-20(9-11-22)18-30-15-4-6-23(19-30)26(28)32/h2-3,5,7-11,23-24,29H,4,6,12-19H2,1H3,(H2,28,32)
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n/an/a 160n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216181
PNG
((R)-N-(2-methoxyphenethyl)-4-((diethylamino)methyl...)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)[C@@H]1CCNC1
Show InChI InChI=1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3/t23-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216204
PNG
(CHEMBL394028 | N-(2-methoxyphenethyl)-4-(piperidin...)
Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N3O2/c1-31-25-8-4-3-7-22(25)14-18-29(24-13-15-27-19-24)26(30)23-11-9-21(10-12-23)20-28-16-5-2-6-17-28/h3-4,7-12,24,27H,2,5-6,13-20H2,1H3
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n/an/a 250n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216206
PNG
(CHEMBL393989 | N-(2-methoxyphenethyl)-4-(benzyloxy...)
Show SMILES COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H30N2O3/c1-31-26-10-6-5-9-22(26)16-18-29(24-15-17-28-19-24)27(30)23-11-13-25(14-12-23)32-20-21-7-3-2-4-8-21/h2-14,24,28H,15-20H2,1H3
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n/an/a 310n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216191
PNG
(CHEMBL232587 | N-(2,6-dichlorophenethyl)-4-((dieth...)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1c(Cl)cccc1Cl)C1CCNC1
Show InChI InChI=1S/C24H31Cl2N3O/c1-3-28(4-2)17-18-8-10-19(11-9-18)24(30)29(20-12-14-27-16-20)15-13-21-22(25)6-5-7-23(21)26/h5-11,20,27H,3-4,12-17H2,1-2H3
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n/an/a 430n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216187
PNG
(CHEMBL232777 | N-(3-chlorophenethyl)-4-(benzyloxy)...)
Show SMILES Clc1cccc(CCN(C2CCNC2)C(=O)c2ccc(OCc3ccccc3)cc2)c1
Show InChI InChI=1S/C26H27ClN2O2/c27-23-8-4-7-20(17-23)14-16-29(24-13-15-28-18-24)26(30)22-9-11-25(12-10-22)31-19-21-5-2-1-3-6-21/h1-12,17,24,28H,13-16,18-19H2
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n/an/a 510n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216196
PNG
(CHEMBL231776 | N-(2-methoxyphenethyl)-4-((diethyla...)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)C1CCNC1
Show InChI InChI=1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3
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n/an/a 540n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216183
PNG
(CHEMBL233573 | N-(2-chlorophenethyl)-4-(benzyloxy)...)
Show SMILES Clc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H27ClN2O2/c27-25-9-5-4-8-21(25)15-17-29(23-14-16-28-18-23)26(30)22-10-12-24(13-11-22)31-19-20-6-2-1-3-7-20/h1-13,23,28H,14-19H2
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n/an/a 590n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216207
PNG
(CHEMBL233572 | N-(2-chlorophenethyl)-4-((diethylam...)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1Cl)C1CCNC1
Show InChI InChI=1S/C24H32ClN3O/c1-3-27(4-2)18-19-9-11-21(12-10-19)24(29)28(22-13-15-26-17-22)16-14-20-7-5-6-8-23(20)25/h5-12,22,26H,3-4,13-18H2,1-2H3
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n/an/a 840n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216208
PNG
((S)-N-(2-methoxyphenethyl)-4-((diethylamino)methyl...)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)[C@H]1CCNC1
Show InChI InChI=1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3/t23-/m0/s1
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n/an/a 970n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216186
PNG
(CHEMBL232577 | N-(2-chlorophenethyl)-4-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)N(CCc1ccccc1Cl)C1CCNC1
Show InChI InChI=1S/C22H27ClN2O2/c1-16(2)27-20-9-7-18(8-10-20)22(26)25(19-11-13-24-15-19)14-12-17-5-3-4-6-21(17)23/h3-10,16,19,24H,11-15H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216203
PNG
(4-diethylaminomethyl-N-pyrrolidin-3-yl-N-(2-o-toly...)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1C)C1CCNC1
Show InChI InChI=1S/C25H35N3O/c1-4-27(5-2)19-21-10-12-23(13-11-21)25(29)28(24-14-16-26-18-24)17-15-22-9-7-6-8-20(22)3/h6-13,24,26H,4-5,14-19H2,1-3H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216190
PNG
(CHEMBL232776 | N-(4-chlorophenethyl)-4-((diethylam...)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccc(Cl)cc1)C1CCNC1
Show InChI InChI=1S/C24H32ClN3O/c1-3-27(4-2)18-20-5-9-21(10-6-20)24(29)28(23-13-15-26-17-23)16-14-19-7-11-22(25)12-8-19/h5-12,23,26H,3-4,13-18H2,1-2H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216205
PNG
(CHEMBL233574 | N-(2-chlorobenzyl)-4-isopropoxy-N-(...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)N(Cc1ccccc1Cl)C1CCNC1
Show InChI InChI=1S/C21H25ClN2O2/c1-15(2)26-19-9-7-16(8-10-19)21(25)24(18-11-12-23-13-18)14-17-5-3-4-6-20(17)22/h3-10,15,18,23H,11-14H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216184
PNG
(CHEMBL233165 | N-(2-fluorophenethyl)-4-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)N(CCc1ccccc1F)C1CCNC1
Show InChI InChI=1S/C22H27FN2O2/c1-16(2)27-20-9-7-18(8-10-20)22(26)25(19-11-13-24-15-19)14-12-17-5-3-4-6-21(17)23/h3-10,16,19,24H,11-15H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216189
PNG
(CHEMBL233166 | N-(3-chlorophenethyl)-4-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)N(CCc1cccc(Cl)c1)C1CCNC1
Show InChI InChI=1S/C22H27ClN2O2/c1-16(2)27-21-8-6-18(7-9-21)22(26)25(20-10-12-24-15-20)13-11-17-4-3-5-19(23)14-17/h3-9,14,16,20,24H,10-13,15H2,1-2H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216182
PNG
(CHEMBL232778 | N-(2-ethoxyphenethyl)-4-((diethylam...)
Show SMILES CCOc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN(CC)CC)cc1
Show InChI InChI=1S/C26H37N3O2/c1-4-28(5-2)20-21-11-13-23(14-12-21)26(30)29(24-15-17-27-19-24)18-16-22-9-7-8-10-25(22)31-6-3/h7-14,24,27H,4-6,15-20H2,1-3H3
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n/an/a>1.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216195
PNG
(CHEMBL233606 | N-(2-chlorophenethyl)-4-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)N(CCc1ccccc1Cl)C1CCCNC1
Show InChI InChI=1S/C23H29ClN2O2/c1-17(2)28-21-11-9-19(10-12-21)23(27)26(20-7-5-14-25-16-20)15-13-18-6-3-4-8-22(18)24/h3-4,6,8-12,17,20,25H,5,7,13-16H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216198
PNG
(CHEMBL233419 | N-(2-chlorophenethyl)-4-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)N(CCc1ccccc1Cl)C1CCSC1
Show InChI InChI=1S/C22H26ClNO2S/c1-16(2)26-20-9-7-18(8-10-20)22(25)24(19-12-14-27-15-19)13-11-17-5-3-4-6-21(17)23/h3-10,16,19H,11-15H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216200
PNG
(CHEMBL233605 | N-(2-chlorophenethyl)-N-(1-formylpy...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)N(CCc1ccccc1Cl)C1CCN(C1)C=O
Show InChI InChI=1S/C23H27ClN2O3/c1-17(2)29-21-9-7-19(8-10-21)23(28)26(20-12-13-25(15-20)16-27)14-11-18-5-3-4-6-22(18)24/h3-10,16-17,20H,11-15H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216192
PNG
(CHEMBL233607 | N-(2-chlorophenethyl)-N-(azetidin-3...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)N(CCc1ccccc1Cl)C1CNC1
Show InChI InChI=1S/C21H25ClN2O2/c1-15(2)26-19-9-7-17(8-10-19)21(25)24(18-13-23-14-18)12-11-16-5-3-4-6-20(16)22/h3-10,15,18,23H,11-14H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216202
PNG
(CHEMBL233797 | N-(2-chlorophenethyl)-4-(piperidin-...)
Show SMILES Clc1ccccc1CCN(C1CCOC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H31ClN2O2/c26-24-7-3-2-6-21(24)12-16-28(23-13-17-30-19-23)25(29)22-10-8-20(9-11-22)18-27-14-4-1-5-15-27/h2-3,6-11,23H,1,4-5,12-19H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50216185
PNG
(CHEMBL397866 | N-(2-chlorophenethyl)-4-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)N(CCc1ccccc1Cl)C1CCN(C)C1
Show InChI InChI=1S/C23H29ClN2O2/c1-17(2)28-21-10-8-19(9-11-21)23(27)26(20-13-14-25(3)16-20)15-12-18-6-4-5-7-22(18)24/h4-11,17,20H,12-16H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human S1P expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50378789
PNG
(CHEMBL1170117)
Show SMILES O=C(COc1ccccc1\N=N\c1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C48H44N4O8/c53-45(49-41(29-35-17-5-1-6-18-35)47(55)59-31-37-21-9-3-10-22-37)33-57-43-27-15-13-25-39(43)51-52-40-26-14-16-28-44(40)58-34-46(54)50-42(30-36-19-7-2-8-20-36)48(56)60-32-38-23-11-4-12-24-38/h1-28,41-42H,29-34H2,(H,49,53)(H,50,54)/b52-51+/t41-,42-/m0/s1
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1.18E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant solubule Kexin isozyme 1


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50378790
PNG
(CHEMBL1171759)
Show SMILES CC(C)[C@H](NC(=O)COc1ccccc1\N=N\c1ccccc1OCC(=O)N[C@@H](C(C)C)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H32N4O8/c1-15(2)23(25(33)34)27-21(31)13-37-19-11-7-5-9-17(19)29-30-18-10-6-8-12-20(18)38-14-22(32)28-24(16(3)4)26(35)36/h5-12,15-16,23-24H,13-14H2,1-4H3,(H,27,31)(H,28,32)(H,33,34)(H,35,36)/b30-29+/t23-,24-/m0/s1
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7.50E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant solubule Kexin isozyme 1


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50378788
PNG
(CHEMBL1170116)
Show SMILES CC(C)[C@H](NC(=O)COc1ccccc1\N=N\c1ccccc1OCC(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C40H44N4O8/c1-27(2)37(39(47)51-23-29-15-7-5-8-16-29)41-35(45)25-49-33-21-13-11-19-31(33)43-44-32-20-12-14-22-34(32)50-26-36(46)42-38(28(3)4)40(48)52-24-30-17-9-6-10-18-30/h5-22,27-28,37-38H,23-26H2,1-4H3,(H,41,45)(H,42,46)/b44-43+/t37-,38-/m0/s1
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1.25E+5n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant solubule Kexin isozyme 1


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50378793
PNG
(CHEMBL1170298)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1\N=N\c1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C52H50N6O10/c59-47(53-41(29-35-17-5-1-6-18-35)49(61)55-43(51(63)64)31-37-21-9-3-10-22-37)33-67-45-27-15-13-25-39(45)57-58-40-26-14-16-28-46(40)68-34-48(60)54-42(30-36-19-7-2-8-20-36)50(62)56-44(52(65)66)32-38-23-11-4-12-24-38/h1-28,41-44H,29-34H2,(H,53,59)(H,54,60)(H,55,61)(H,56,62)(H,63,64)(H,65,66)/b58-57+/t41-,42-,43-,44-/m0/s1
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1.40E+5n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant solubule Kexin isozyme 1


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50378791
PNG
(CHEMBL1170119)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1\N=N\c1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C34H32N4O8/c39-31(35-27(33(41)42)19-23-11-3-1-4-12-23)21-45-29-17-9-7-15-25(29)37-38-26-16-8-10-18-30(26)46-22-32(40)36-28(34(43)44)20-24-13-5-2-6-14-24/h1-18,27-28H,19-22H2,(H,35,39)(H,36,40)(H,41,42)(H,43,44)/b38-37+/t27-,28-/m0/s1
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2.25E+5n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant solubule Kexin isozyme 1


Citation and Details
More data for this
Ligand-Target Pair
Membrane-bound transcription factor site-1 protease


(Homo sapiens)
BDBM50378792
PNG
(CHEMBL1170606)
Show SMILES OC(=O)CNC(=O)COc1ccccc1\N=N\c1ccccc1OCC(=O)NCC(O)=O
Show InChI InChI=1S/C20H20N4O8/c25-17(21-9-19(27)28)11-31-15-7-3-1-5-13(15)23-24-14-6-2-4-8-16(14)32-12-18(26)22-10-20(29)30/h1-8H,9-12H2,(H,21,25)(H,22,26)(H,27,28)(H,29,30)/b24-23+
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2.65E+5n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant solubule Kexin isozyme 1


Citation and Details
More data for this
Ligand-Target Pair