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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'ishiguro' and Initial = 'n'   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 230n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431931
PNG
(CHEMBL2348077)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C14H11N3O3S2/c18-10-7-21-11(16-10)6-12-17-14(8-3-1-2-4-15-8)9(22-12)5-13(19)20/h1-4,6H,5,7H2,(H,16,18)(H,19,20)/b11-6+
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n/an/a 400n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431944
PNG
(CHEMBL2348087)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S2/c19-12-9-22-13(17-12)8-14-18-16(10-4-2-1-3-5-10)11(23-14)6-7-15(20)21/h1-5,8H,6-7,9H2,(H,17,19)(H,20,21)/b13-8+
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n/an/a 420n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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n/an/a 420n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-5 (unknown origin)

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431949
PNG
(CHEMBL2348090)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1sccc1Br
Show InChI InChI=1S/C14H11BrN2O3S3/c15-7-3-4-21-14(7)13-8(1-2-12(19)20)23-11(17-13)5-10-16-9(18)6-22-10/h3-5H,1-2,6H2,(H,16,18)(H,19,20)/b10-5+
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n/an/a 420n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431950
PNG
(CHEMBL2348089)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O3S2/c25-18-13-28-19(23-18)12-20-24-22(17(29-20)10-11-21(26)27)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,23,25)(H,26,27)/b19-12+
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n/an/a 430n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431935
PNG
(CHEMBL2348073)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O3S2/c24-17-12-27-18(22-17)11-19-23-21(16(28-19)10-20(25)26)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,22,24)(H,25,26)/b18-11+
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n/an/a 430n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431932
PNG
(CHEMBL2348076)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1sccc1Br
Show InChI InChI=1S/C13H9BrN2O3S3/c14-6-1-2-20-13(6)12-7(3-11(18)19)22-10(16-12)4-9-15-8(17)5-21-9/h1-2,4H,3,5H2,(H,15,17)(H,18,19)/b9-4+
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n/an/a 470n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431943
PNG
(CHEMBL2348088)
Show SMILES OC(=O)CCCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C17H16N2O3S2/c20-13-10-23-14(18-13)9-15-19-17(11-5-2-1-3-6-11)12(24-15)7-4-8-16(21)22/h1-3,5-6,9H,4,7-8,10H2,(H,18,20)(H,21,22)/b14-9+
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n/an/a 500n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431948
PNG
(CHEMBL2348092)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccc(Br)cn1
Show InChI InChI=1S/C15H12BrN3O3S2/c16-8-1-2-9(17-6-8)15-10(3-4-14(21)22)24-13(19-15)5-12-18-11(20)7-23-12/h1-2,5-6H,3-4,7H2,(H,18,20)(H,21,22)/b12-5+
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n/an/a 630n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431937
PNG
(CHEMBL2348071)
Show SMILES Cc1ccc(cc1)-c1nc(\C=C2/NC(=O)CS2)sc1CC(O)=O
Show InChI InChI=1S/C16H14N2O3S2/c1-9-2-4-10(5-3-9)16-11(6-15(20)21)23-14(18-16)7-13-17-12(19)8-22-13/h2-5,7H,6,8H2,1H3,(H,17,19)(H,20,21)/b13-7+
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n/an/a 720n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431945
PNG
(CHEMBL2348086)
Show SMILES CC(C(O)=O)c1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S2/c1-9(16(20)21)15-14(10-5-3-2-4-6-10)18-13(23-15)7-12-17-11(19)8-22-12/h2-7,9H,8H2,1H3,(H,17,19)(H,20,21)/b12-7+
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n/an/a 730n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431926
PNG
(CHEMBL2348082)
Show SMILES CC(C)c1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C16H16N2OS2/c1-10(2)16-15(11-6-4-3-5-7-11)18-14(21-16)8-13-17-12(19)9-20-13/h3-8,10H,9H2,1-2H3,(H,17,19)/b13-8+
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n/an/a 830n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431930
PNG
(CHEMBL2348078)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccc(Br)cn1
Show InChI InChI=1S/C14H10BrN3O3S2/c15-7-1-2-8(16-5-7)14-9(3-13(20)21)23-12(18-14)4-11-17-10(19)6-22-11/h1-2,4-5H,3,6H2,(H,17,19)(H,20,21)/b11-4+
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n/an/a 840n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431936
PNG
(CHEMBL2348072)
Show SMILES COc1ccc(cc1)-c1nc(\C=C2/NC(=O)CS2)sc1CC(O)=O
Show InChI InChI=1S/C16H14N2O4S2/c1-22-10-4-2-9(3-5-10)16-11(6-15(20)21)24-14(18-16)7-13-17-12(19)8-23-13/h2-5,7H,6,8H2,1H3,(H,17,19)(H,20,21)/b13-7+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))		BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 (unknown origin)

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431927
PNG
(CHEMBL2348081)
Show SMILES CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C15H14N2OS2/c1-2-11-15(10-6-4-3-5-7-10)17-14(20-11)8-13-16-12(18)9-19-13/h3-8H,2,9H2,1H3,(H,16,18)/b13-8+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431928
PNG
(CHEMBL2348080)
Show SMILES Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C14H12N2OS2/c1-9-14(10-5-3-2-4-6-10)16-13(19-9)7-12-15-11(17)8-18-12/h2-7H,8H2,1H3,(H,15,17)/b12-7+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431942
PNG
(CHEMBL2347847)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C15H12N2O3S2/c18-11-8-21-12(16-11)7-13-17-15(9-4-2-1-3-5-9)10(22-13)6-14(19)20/h1-5,7H,6,8H2,(H,16,18)(H,19,20)/b12-7+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431946
PNG
(CHEMBL2348085)
Show SMILES OC(=O)c1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C14H10N2O3S2/c17-9-7-20-10(15-9)6-11-16-12(13(21-11)14(18)19)8-4-2-1-3-5-8/h1-6H,7H2,(H,15,17)(H,18,19)/b10-6+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431925
PNG
(CHEMBL2348083)
Show SMILES CCCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C16H16N2OS2/c1-2-6-12-16(11-7-4-3-5-8-11)18-15(21-12)9-14-17-13(19)10-20-14/h3-5,7-9H,2,6,10H2,1H3,(H,17,19)/b14-9+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431924
PNG
(CHEMBL2348084)
Show SMILES CN(C)C(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C17H17N3O2S2/c1-20(2)16(22)8-12-17(11-6-4-3-5-7-11)19-15(24-12)9-14-18-13(21)10-23-14/h3-7,9H,8,10H2,1-2H3,(H,18,21)/b14-9+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431941
PNG
(CHEMBL2348067)
Show SMILES Cn1c(Cc2nc(c(CC(O)=O)s2)-c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C20H17N3O2S/c1-23-15-10-6-5-9-14(15)21-17(23)12-18-22-20(13-7-3-2-4-8-13)16(26-18)11-19(24)25/h2-10H,11-12H2,1H3,(H,24,25)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431940
PNG
(CHEMBL2348068)
Show SMILES Cc1csc(Cc2nc(c(CC(O)=O)s2)-c2ccccc2)n1
Show InChI InChI=1S/C16H14N2O2S2/c1-10-9-21-13(17-10)8-14-18-16(11-5-3-2-4-6-11)12(22-14)7-15(19)20/h2-6,9H,7-8H2,1H3,(H,19,20)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431933
PNG
(CHEMBL2348075)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccc(Br)s1
Show InChI InChI=1S/C13H9BrN2O3S3/c14-8-2-1-6(21-8)13-7(3-12(18)19)22-11(16-13)4-10-15-9(17)5-20-10/h1-2,4H,3,5H2,(H,15,17)(H,18,19)/b10-4+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431934
PNG
(CHEMBL2348074)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1cccs1
Show InChI InChI=1S/C13H10N2O3S3/c16-9-6-20-10(14-9)5-11-15-13(7-2-1-3-19-7)8(21-11)4-12(17)18/h1-3,5H,4,6H2,(H,14,16)(H,17,18)/b10-5+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431939
PNG
(CHEMBL2348069)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1O
Show InChI InChI=1S/C9H8N2O4S2/c12-5-3-16-6(10-5)2-7-11-9(15)4(17-7)1-8(13)14/h2,15H,1,3H2,(H,10,12)(H,13,14)/b6-2+
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n/an/a 4.20E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431938
PNG
(CHEMBL2348070)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O3S2/c16-9-3-1-8(2-4-9)15-10(5-14(20)21)23-13(18-15)6-12-17-11(19)7-22-12/h1-4,6H,5,7H2,(H,17,19)(H,20,21)/b12-6+
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n/an/a 6.40E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))		BDBM50431929
PNG
(CHEMBL2348079)
Show SMILES O=C1CS\C(N1)=C\c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C13H10N2OS2/c16-11-8-18-13(15-11)6-12-14-10(7-17-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)/b13-6+
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n/an/a 7.00E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(RAT)		BDBM39344
PNG
(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition pramipexole uptake in rOCT1-injected oocytes

Drug Metab Dispos 33: 495-9 (2005)


Article DOI: 10.1124/dmd.104.002519
BindingDB Entry DOI: 10.7270/Q24B32KW
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))		BDBM50431942
PNG
(CHEMBL2347847)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C15H12N2O3S2/c18-11-8-21-12(16-11)7-13-17-15(9-4-2-1-3-5-9)10(22-13)6-14(19)20/h1-5,7H,6,8H2,(H,16,18)(H,19,20)/b12-7+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 (unknown origin) by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(RAT)		BDBM50170653
PNG
((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9|
Show InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition pramipexole uptake in rOCT2-injected oocytes

Drug Metab Dispos 33: 495-9 (2005)


Article DOI: 10.1124/dmd.104.002519
BindingDB Entry DOI: 10.7270/Q24B32KW
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 13


(Homo sapiens (Human))		BDBM50431942
PNG
(CHEMBL2347847)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C15H12N2O3S2/c18-11-8-21-12(16-11)7-13-17-15(9-4-2-1-3-5-9)10(22-13)6-14(19)20/h1-5,7H,6,8H2,(H,16,18)(H,19,20)/b12-7+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-13 (unknown origin)

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50431942
PNG
(CHEMBL2347847)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C15H12N2O3S2/c18-11-8-21-12(16-11)7-13-17-15(9-4-2-1-3-5-9)10(22-13)6-14(19)20/h1-5,7H,6,8H2,(H,16,18)(H,19,20)/b12-7+
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n/an/a 1.60E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of TACE (unknown origin)

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 13


(Homo sapiens (Human))		BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-13 (unknown origin)

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Bos taurus)		BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 2.20E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Ex vivo inhibition of ADAMTS-5-mediated aggrecan degradation in IL-1-stimulated bovine cartilage explant

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))		BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 2.30E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 (unknown origin) by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP14 (unknown origin) by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of TACE (unknown origin)

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50431942
PNG
(CHEMBL2347847)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C15H12N2O3S2/c18-11-8-21-12(16-11)7-13-17-15(9-4-2-1-3-5-9)10(22-13)6-14(19)20/h1-5,7H,6,8H2,(H,16,18)(H,19,20)/b12-7+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP14 (unknown origin) by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50431942
PNG
(CHEMBL2347847)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C15H12N2O3S2/c18-11-8-21-12(16-11)7-13-17-15(9-4-2-1-3-5-9)10(22-13)6-14(19)20/h1-5,7H,6,8H2,(H,16,18)(H,19,20)/b12-7+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin) by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50431942
PNG
(CHEMBL2347847)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccc1
Show InChI InChI=1S/C15H12N2O3S2/c18-11-8-21-12(16-11)7-13-17-15(9-4-2-1-3-5-9)10(22-13)6-14(19)20/h1-5,7H,6,8H2,(H,16,18)(H,19,20)/b12-7+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin) by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by FRET method

Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
POU domain, class 2, transcription factor 1


(Homo sapiens (Human))		BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Nippon Boehringer Ingelheim Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of OCT1 (unknown origin) expressed in HEK293 cells assessed as reduction of [14C]metformin substrate uptake at 100 uM by liquid scintillat...

Drug Metab Dispos 41: 149-58 (2012)


Article DOI: 10.1124/dmd.112.048470
BindingDB Entry DOI: 10.7270/Q2QC0574
More data for this
Ligand-Target Pair
POU domain, class 2, transcription factor 1


(Homo sapiens (Human))		BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Nippon Boehringer Ingelheim Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of OCT1 (unknown origin) expressed in HEK293 cells assessed as reduction of [ethyl 1-14C]TEA substrate uptake at 100 uM by liquid scintill...

Drug Metab Dispos 41: 149-58 (2012)


Article DOI: 10.1124/dmd.112.048470
BindingDB Entry DOI: 10.7270/Q2QC0574
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(RAT)		BDBM50033369
PNG
(AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL)
Show SMILES NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7|
Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
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n/an/a 7.63E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition pramipexole uptake in rOCT1-injected oocytes

Drug Metab Dispos 33: 495-9 (2005)


Article DOI: 10.1124/dmd.104.002519
BindingDB Entry DOI: 10.7270/Q24B32KW
More data for this
Ligand-Target Pair
POU domain, class 2, transcription factor 2


(Homo sapiens (Human))		BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Nippon Boehringer Ingelheim Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of OCT2 (unknown origin) expressed in HEK293 cells assessed as reduction of [14C]metformin substrate uptake at 100 uM by liquid scintillat...

Drug Metab Dispos 41: 149-58 (2012)


Article DOI: 10.1124/dmd.112.048470
BindingDB Entry DOI: 10.7270/Q2QC0574
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))		BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nippon Boehringer Ingelheim Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of OAT3 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]E-sul substrate uptake by liquid scintillation counting

Drug Metab Dispos 41: 149-58 (2012)


Article DOI: 10.1124/dmd.112.048470
BindingDB Entry DOI: 10.7270/Q2QC0574
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1


(Homo sapiens (Human))		BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nippon Boehringer Ingelheim Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]E217betaG substrate uptake by liquid scintillation coun...

Drug Metab Dispos 41: 149-58 (2012)


Article DOI: 10.1124/dmd.112.048470
BindingDB Entry DOI: 10.7270/Q2QC0574
More data for this
Ligand-Target Pair
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