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Compile Data Set for Download or QSAR

Found 44 hits from 3-Dimensional Pharmaceuticals Inc   
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
Complement C1s


(Homo sapiens (Human))
BDBM50147047
PNG
(5-Methylsulfanyl-4-[4-(1-phenyl-5-propyl-1H-pyrazo...)
Show SMILES CCCc1c(cnn1-c1ccccc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C21H21N5S3/c1-3-7-17-15(11-24-26(17)13-8-5-4-6-9-13)16-12-28-20(25-16)14-10-18(19(22)23)29-21(14)27-2/h4-6,8-12H,3,7H2,1-2H3,(H3,22,23)
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60n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147046
PNG
(5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...)
Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)
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70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147059
PNG
(4-[4-(5-Ethoxy-1-phenyl-1H-pyrazol-4-yl)-thiazol-2...)
Show SMILES CCOc1c(cnn1-c1ccccc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H19N5OS3/c1-3-26-19-14(10-23-25(19)12-7-5-4-6-8-12)15-11-28-18(24-15)13-9-16(17(21)22)29-20(13)27-2/h4-11H,3H2,1-2H3,(H3,21,22)
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90n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147054
PNG
(5-Methylsulfanyl-4-[4-(1-phenyl-1H-pyrazol-4-yl)-t...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cnn(c1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C18H15N5S3/c1-24-18-13(7-15(26-18)16(19)20)17-22-14(10-25-17)11-8-21-23(9-11)12-5-3-2-4-6-12/h2-10H,1H3,(H3,19,20)
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150n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50147046
PNG
(5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...)
Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)
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180n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards trypsin was determined


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147056
PNG
(4-[4-(1-Methyl-3-propyl-1H-pyrazol-4-yl)-thiazol-2...)
Show SMILES CCCc1nn(C)cc1-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C16H19N5S3/c1-4-5-11-10(7-21(2)20-11)12-8-23-15(19-12)9-6-13(14(17)18)24-16(9)22-3/h6-8H,4-5H2,1-3H3,(H3,17,18)
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190n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147051
PNG
(4-[4-(1-Methyl-5-propyl-1H-pyrazol-4-yl)-thiazol-2...)
Show SMILES CCCc1c(cnn1C)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C16H19N5S3/c1-4-5-12-10(7-19-21(12)2)11-8-23-15(20-11)9-6-13(14(17)18)24-16(9)22-3/h6-8H,4-5H2,1-3H3,(H3,17,18)
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330n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099897
PNG
(5-Methylsulfanyl-4-(4-p-tolyl-thiazol-2-yl)-thioph...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(C)cc1)C(N)=N
Show InChI InChI=1S/C16H15N3S3/c1-9-3-5-10(6-4-9)12-8-21-15(19-12)11-7-13(14(17)18)22-16(11)20-2/h3-8H,1-2H3,(H3,17,18)
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420n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099900
PNG
(4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfa...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N
Show InChI InChI=1S/C15H12ClN3S3/c1-20-15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
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436n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099935
PNG
(4-(4-Benzo[b]thiophen-3-yl-thiazol-2-yl)-5-methyls...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1csc2ccccc12)C(N)=N
Show InChI InChI=1S/C17H13N3S4/c1-21-17-10(6-14(24-17)15(18)19)16-20-12(8-23-16)11-7-22-13-5-3-2-4-9(11)13/h2-8H,1H3,(H3,18,19)
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450n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147050
PNG
(4-[4-(1-Methyl-1H-pyrazol-4-yl)-thiazol-2-yl]-5-me...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cnn(C)c1)C(N)=N
Show InChI InChI=1S/C13H13N5S3/c1-18-5-7(4-16-18)9-6-20-12(17-9)8-3-10(11(14)15)21-13(8)19-2/h3-6H,1-2H3,(H3,14,15)
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460n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099903
PNG
(4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)
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470n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099936
PNG
(5-Methylsulfanyl-4-(4-naphthalen-2-yl-thiazol-2-yl...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2ccccc2c1)C(N)=N
Show InChI InChI=1S/C19H15N3S3/c1-23-19-14(9-16(25-19)17(20)21)18-22-15(10-24-18)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H3,20,21)
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490n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099937
PNG
(5-Methylsulfanyl-4-(4-phenoxymethyl-thiazol-2-yl)-...)
Show SMILES CSc1sc(cc1-c1nc(COc2ccccc2)cs1)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-21-16-12(7-13(23-16)14(17)18)15-19-10(9-22-15)8-20-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H3,17,18)
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520n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147058
PNG
(4-[4-(5-Cyclobutylmethoxy-1-phenyl-1H-pyrazol-4-yl...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cnn(c1OCC1CCC1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C23H23N5OS3/c1-30-23-16(10-19(32-23)20(24)25)21-27-18(13-31-21)17-11-26-28(15-8-3-2-4-9-15)22(17)29-12-14-6-5-7-14/h2-4,8-11,13-14H,5-7,12H2,1H3,(H3,24,25)
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530n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099921
PNG
(5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophe...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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560n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099914
PNG
(4-[4-(2,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methyl...)
Show SMILES COc1ccc(-c2csc(n2)-c2cc(sc2SC)C(N)=N)c(OC)c1
Show InChI InChI=1S/C17H17N3O2S3/c1-21-9-4-5-10(13(6-9)22-2)12-8-24-16(20-12)11-7-14(15(18)19)25-17(11)23-3/h4-8H,1-3H3,(H3,18,19)
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640n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099933
PNG
(5-Methylsulfanyl-4-(4-thiophen-2-yl-thiazol-2-yl)-...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccs1)C(N)=N
Show InChI InChI=1S/C13H11N3S4/c1-17-13-7(5-10(20-13)11(14)15)12-16-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H3,14,15)
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700n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099898
PNG
(4-[4-(2-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES COc1ccccc1-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-20-12-6-4-3-5-9(12)11-8-22-15(19-11)10-7-13(14(17)18)23-16(10)21-2/h3-8H,1-2H3,(H3,17,18)
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850n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099907
PNG
(5-Methylsulfanyl-4-(4-o-tolyl-thiazol-2-yl)-thioph...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccccc1C)C(N)=N
Show InChI InChI=1S/C16H15N3S3/c1-9-5-3-4-6-10(9)12-8-21-15(19-12)11-7-13(14(17)18)22-16(11)20-2/h3-8H,1-2H3,(H3,17,18)
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PubMed
850n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099918
PNG
(4-[4-(4-Chloro-3-nitro-phenyl)-thiazol-2-yl]-5-met...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)c(c1)[N+]([O-])=O)C(N)=N
Show InChI InChI=1S/C15H11ClN4O2S3/c1-23-15-8(5-12(25-15)13(17)18)14-19-10(6-24-14)7-2-3-9(16)11(4-7)20(21)22/h2-6H,1H3,(H3,17,18)
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PubMed
860n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099917
PNG
(4-[4-(4-Chloro-pyridin-3-yl)-thiazol-2-yl]-5-methy...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cnccc1Cl)C(N)=N
Show InChI InChI=1S/C14H11ClN4S3/c1-20-14-7(4-11(22-14)12(16)17)13-19-10(6-21-13)8-5-18-3-2-9(8)15/h2-6H,1H3,(H3,16,17)
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870n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099904
PNG
(4-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...)
Show SMILES COc1ccc(cc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-9(4-6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)
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PubMed
900n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099924
PNG
(5-Methylsulfanyl-4-(4-m-tolyl-thiazol-2-yl)-thioph...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(C)c1)C(N)=N
Show InChI InChI=1S/C16H15N3S3/c1-9-4-3-5-10(6-9)12-8-21-15(19-12)11-7-13(14(17)18)22-16(11)20-2/h3-8H,1-2H3,(H3,17,18)
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960n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099929
PNG
(5-Methylsulfanyl-4-[4-(4-nitro-phenyl)-thiazol-2-y...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)C(N)=N
Show InChI InChI=1S/C15H12N4O2S3/c1-22-15-10(6-12(24-15)13(16)17)14-18-11(7-23-14)8-2-4-9(5-3-8)19(20)21/h2-7H,1H3,(H3,16,17)
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099920
PNG
(4-[4-(2-Chloro-pyridin-3-yl)-thiazol-2-yl]-5-methy...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccnc1Cl)C(N)=N
Show InChI InChI=1S/C14H11ClN4S3/c1-20-14-8(5-10(22-14)12(16)17)13-19-9(6-21-13)7-3-2-4-18-11(7)15/h2-6H,1H3,(H3,16,17)
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PubMed
1.02E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099909
PNG
(4-(4-Benzyl-thiazol-2-yl)-5-methylsulfanyl-thiophe...)
Show SMILES CSc1sc(cc1-c1nc(Cc2ccccc2)cs1)C(N)=N
Show InChI InChI=1S/C16H15N3S3/c1-20-16-12(8-13(22-16)14(17)18)15-19-11(9-21-15)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H3,17,18)
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PubMed
1.06E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147055
PNG
(4-{4-[5-(3-Methyl-butoxy)-1-phenyl-1H-pyrazol-4-yl...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cnn(c1OCCC(C)C)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C23H25N5OS3/c1-14(2)9-10-29-22-17(12-26-28(22)15-7-5-4-6-8-15)18-13-31-21(27-18)16-11-19(20(24)25)32-23(16)30-3/h4-8,11-14H,9-10H2,1-3H3,(H3,24,25)
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1.50E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099916
PNG
(4-[4-(2,4-Dichloro-phenyl)-thiazol-2-yl]-5-methyls...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1Cl)C(N)=N
Show InChI InChI=1S/C15H11Cl2N3S3/c1-21-15-9(5-12(23-15)13(18)19)14-20-11(6-22-14)8-3-2-7(16)4-10(8)17/h2-6H,1H3,(H3,18,19)
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PubMed
3.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50109378
PNG
(5-Ethyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carb...)
Show SMILES CCc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C16H15N3S2/c1-2-13-11(8-14(21-13)15(17)18)16-19-12(9-20-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,17,18)
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PubMed
3.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147053
PNG
(5-Methylsulfanyl-4-(5-phenyl-thiazol-2-yl)-thiophe...)
Show SMILES CSc1sc(cc1-c1ncc(s1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S3/c1-19-15-10(7-11(21-15)13(16)17)14-18-8-12(20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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3.25E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099925
PNG
(4-(4-Cyclohexyl-thiazol-2-yl)-5-methylsulfanyl-thi...)
Show SMILES CSc1sc(cc1-c1nc(cs1)C1CCCCC1)C(N)=N
Show InChI InChI=1S/C15H19N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H3,16,17)
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PubMed
4.70E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50147046
PNG
(5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...)
Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)
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PubMed
5.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Coagulation factor X was determined


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50147046
PNG
(5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...)
Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)
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5.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards plasmin was determined


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50109381
PNG
(5-Methyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-car...)
Show SMILES Cc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S2/c1-9-11(7-13(20-9)14(16)17)15-18-12(8-19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H3,16,17)
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PubMed
6.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147057
PNG
(4-(4-Phenyl-thiazol-2-yl)-5-trifluoromethyl-thioph...)
Show SMILES NC(=N)c1cc(-c2nc(cs2)-c2ccccc2)c(s1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N3S2/c16-15(17,18)12-9(6-11(23-12)13(19)20)14-21-10(7-22-14)8-4-2-1-3-5-8/h1-7H,(H3,19,20)
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1.25E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50109379
PNG
(5-Methoxy-4-(4-phenyl-thiazol-2-yl)-thiophene-2-ca...)
Show SMILES COc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3OS2/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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1.44E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50099899
PNG
(4-(4-Biphenyl-4-yl-thiazol-2-yl)-5-methylsulfanyl-...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(cc1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C21H17N3S3/c1-25-21-16(11-18(27-21)19(22)23)20-24-17(12-26-20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3,(H3,22,23)
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1.54E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50109374
PNG
(4-(4-Phenyl-thiazol-2-yl)-thiophene-2-carboxamidin...)
Show SMILES NC(=N)c1cc(cs1)-c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H11N3S2/c15-13(16)12-6-10(7-18-12)14-17-11(8-19-14)9-4-2-1-3-5-9/h1-8H,(H3,15,16)
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>2.00E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147052
PNG
(5-Benzylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophe...)
Show SMILES NC(=N)c1cc(c(SCc2ccccc2)s1)-c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C21H17N3S3/c22-19(23)18-11-16(21(27-18)26-12-14-7-3-1-4-8-14)20-24-17(13-25-20)15-9-5-2-6-10-15/h1-11,13H,12H2,(H3,22,23)
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>2.00E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147049
PNG
(5-Ethylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophen...)
Show SMILES CCSc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C16H15N3S3/c1-2-20-16-11(8-13(22-16)14(17)18)15-19-12(9-21-15)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,17,18)
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>2.00E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147048
PNG
(5-Methanesulfonyl-4-(4-phenyl-thiazol-2-yl)-thioph...)
Show SMILES CS(=O)(=O)c1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3O2S3/c1-23(19,20)15-10(7-12(22-15)13(16)17)14-18-11(8-21-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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>2.80E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50147046
PNG
(5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...)
Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards thrombin was determined


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147046
PNG
(5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...)
Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)
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n/an/a 300n/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Complement C1s subcomponent in erythrocyte hemolytic assay


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair