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Compile Data Set for Download or QSAR

Found 4205 hits with Last Name = 'ma' and Initial = 'vv'   
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
Solute carrier organic anion transporter family member 1B1


(Homo sapiens (Human))		BDBM50001839
PNG
(CHEMBL428647 | PACLITAXEL | taxol)
Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)|
Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
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 840n/an/an/an/an/an/an/an/a



Universit£tsmedizin G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of human OATP1B1-mediated [3H]estrone 3-sulfate at after 5 mins by Dixon plot method

Eur J Med Chem 92: 723-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3


(Homo sapiens (Human))		BDBM50001839
PNG
(CHEMBL428647 | PACLITAXEL | taxol)
Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)|
Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



Universit£tsmedizin G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method

Eur J Med Chem 92: 723-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3


(Homo sapiens (Human))		BDBM67690
PNG
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
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 3.10E+3n/an/an/an/an/an/an/an/a



Universit£tsmedizin G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method

Eur J Med Chem 92: 723-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1


(Homo sapiens (Human))		BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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 1.02E+4n/an/an/an/an/an/an/an/a



Universit£tsmedizin G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of human OATP1B1-mediated [3H]estrone 3-sulfate at after 5 mins by Dixon plot method

Eur J Med Chem 92: 723-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3


(Homo sapiens (Human))		BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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 1.35E+4n/an/an/an/an/an/an/an/a



Universit£tsmedizin G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method

Eur J Med Chem 92: 723-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3


(Homo sapiens (Human))		BDBM50139772
PNG
(22-oxovincaleukoblastine | leurocristine | vincris...)
Show SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:49|
Show InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
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 1.76E+4n/an/an/an/an/an/an/an/a



Universit£tsmedizin G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method

Eur J Med Chem 92: 723-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3


(Homo sapiens (Human))		BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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 1.86E+4n/an/an/an/an/an/an/an/a



Universit£tsmedizin G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method

Eur J Med Chem 92: 723-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3


(Homo sapiens (Human))		BDBM50003677
PNG
(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
Show SMILES OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl
Show InChI InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)
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 3.74E+4n/an/an/an/an/an/an/an/a



Universit£tsmedizin G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method

Eur J Med Chem 92: 723-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543871
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 7'-(((9aS)-8- acetyloc...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN3CCN(C[C@@H]3C2)C(C)=O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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n/an/a 0.0500n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543919
PNG
((1s,3′r,6′r,7′s,11′s,12...)
Show SMILES C[C@H]1CCC[C@@H]([C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C)C(O)=O |r|
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n/an/a 0.107n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543869
PNG
((1s,3′r,6′s,7′s,11′s,12...)
Show SMILES C[C@H]1CCC[C@@H](CC(=O)N2CCN3CCOC[C@H]3C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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n/an/a 0.123n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543875
PNG
((1s,3′r,6′r,7′r,11's,12′r)...)
Show SMILES C[C@H]1CCC[C@H]([C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C)C(=O)N1CCOCC1 |r|
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n/an/a 0.126n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543889
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 7'-((4-acetyl-1- piper...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN(CC2)C(C)=O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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n/an/a 0.172n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543870
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 6-chloro-7'-((4-(2- me...)
Show SMILES COCCN1CCN(C[C@H]2CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c3ccc4OC[C@]5(CCCc6cc(Cl)ccc56)CN(C[C@@H]5CC[C@@H]25)c4c3)CC1=O |r|
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n/an/a 0.181n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543890
PNG
((1s,3′r,6′r,7′s,11′s,12...)
Show SMILES C[C@H]1CCC[C@H](CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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n/an/a 0.182n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543871
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 7'-(((9aS)-8- acetyloc...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN3CCN(C[C@@H]3C2)C(C)=O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



University of Hyderabad Campus

Curated by ChEMBL


Assay Description
Inhibition of PDE4D (unknown origin)

Eur J Med Chem 174: 198-215 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.020
BindingDB Entry DOI: 10.7270/Q2G44TQ6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543871
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 7'-(((9aS)-8- acetyloc...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN3CCN(C[C@@H]3C2)C(C)=O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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n/an/a 0.212n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543918
PNG
((1S,3'R,6'S,7'S,11'S)- 6-chloro-7'- (hydroxymethyl...)
Show SMILES C[C@H]1CCC[C@H](CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)C1 |r|
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Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543891
PNG
((1s,3′r,6′r,7′s,8′e,11R...)
Show SMILES C[C@H]1C\C=C\[C@H](CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
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TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543868
PNG
((1s,3′r,6's,7's,11's,12′r)-6-chloro-11...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN3CCN(C)C[C@@H]3C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543896
PNG
((1S,3'R,6'R,7'S,11'S,12'R)- 6-chloro-7'- (hydroxym...)
Show SMILES COCC[C@@H]1[C@@H](C)CCC[C@H](CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS1(=O)=O |r|
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The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543878
PNG
((1S,3'R,6'R,7'S,11'S,12'R)- 6-chloro-N-(2- methoxy...)
Show SMILES COCCNC(=O)[C@H]1CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r|
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n/an/a 0.237n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543876
PNG
((1S,3'R,6'R,7'S,11'S,12'R)- 7'-(1- azetidinylcarbo...)
Show SMILES C[C@H]1CCC[C@@H]([C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C)C(=O)N1CCC1 |r|
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The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543871
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 7'-(((9aS)-8- acetyloc...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN3CCN(C[C@@H]3C2)C(C)=O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543870
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 6-chloro-7'-((4-(2- me...)
Show SMILES COCCN1CCN(C[C@H]2CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c3ccc4OC[C@]5(CCCc6cc(Cl)ccc56)CN(C[C@@H]5CC[C@@H]25)c4c3)CC1=O |r|
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TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543881
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 6-chloro-7'-((9aR)- he...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN3CCOC[C@H]3C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543903
PNG
((1S,3'R,6'S,7'R,11'S,12'R)- 6-chloro-7'-((4-(2- me...)
Show SMILES COCCN1CCN(C[C@H]2CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c3ccc4OC[C@]5(CCCc6cc(Cl)ccc56)CN(C[C@@H]5CC[C@@H]25)c4c3)CCC1=O |r|
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n/an/a 0.265n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543910
PNG
((1S,3'R,6'R,7'S,10'S,11'S)- 6-chloro-7'- (hydroxym...)
Show SMILES C[C@H]1CC[C@H](CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)C[C@H]1C |r|
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TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543928
PNG
((1s,3′r,6′r,7′s,8′e,11R...)
Show SMILES CC[C@H](O)[C@H]1\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:5|
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n/an/a 0.281n/an/an/an/an/an/a


TBA

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The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543908
PNG
((1s,3′r,6′r,7′s,11′s,12...)
Show SMILES C[C@H]1CCC[C@H](CS(C)(=O)=O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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TBA

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The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543895
PNG
(2- ((1S,3'R,6'S,7'S,11'S,12'R)- 6-chloro-11',12'- ...)
Show SMILES C[C@H]1CCC[C@H](CC(=O)N(C)C)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543904
PNG
((1S,3'R,6'R,7'S,8'E, 11'S,12'R)- 6-chloro-7'-((9aS...)
Show SMILES C[C@H]1C\C=C\[C@H](CN2CCN3CCOC[C@@H]3C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
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TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543881
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 6-chloro-7'-((9aR)- he...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN3CCOC[C@H]3C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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TBA

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The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543877
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 6-chloro-7'-((9aS)- he...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN3CCOC[C@@H]3C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50188657
PNG
((R)-methyl 5-Chloro-6-(3-methyl-4-(6-(trifluoromet...)
Show SMILES COC(=O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(Cl)c1
Show InChI InChI=1S/C26H20ClF6N5O2/c1-12-11-37(23-17(27)5-14(10-34-23)24(39)40-2)3-4-38(12)25-35-20-9-15(26(31,32)33)8-16(22(20)36-25)13-6-18(28)21(30)19(29)7-13/h5-10,12H,3-4,11H2,1-2H3,(H,35,36)/t12-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1

J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50188657
PNG
((R)-methyl 5-Chloro-6-(3-methyl-4-(6-(trifluoromet...)
Show SMILES COC(=O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(Cl)c1
Show InChI InChI=1S/C26H20ClF6N5O2/c1-12-11-37(23-17(27)5-14(10-34-23)24(39)40-2)3-4-38(12)25-35-20-9-15(26(31,32)33)8-16(22(20)36-25)13-6-18(28)21(30)19(29)7-13/h5-10,12H,3-4,11H2,1-2H3,(H,35,36)/t12-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5

J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543883
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 6-chloro-11',12'- dime...)
Show SMILES C[C@H]1CCC[C@H](CN2CC3(C2)CCCN3C)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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UniChem
US Patent
n/an/a 0.317n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543871
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 7'-(((9aS)-8- acetyloc...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN3CCN(C[C@@H]3C2)C(C)=O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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UniChem
US Patent
n/an/a 0.329n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543893
PNG
((1s,3′r,6′r,7′s,8′e,11R...)
Show SMILES C[C@H]1C\C=C\[C@@H](CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
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UniChem
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n/an/a 0.336n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543912
PNG
((1s,3′r,6′r,7′r,11′s,12...)
Show SMILES C[C@H]1CCCC([C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C)C(C)=O |r|
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n/an/a 0.338n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543873
PNG
((1s,3′r,6's,7's,11's,12′r)-6-chloro-11...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN3CCN(C)C[C@H]3C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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UniChem
US Patent
n/an/a 0.353n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543936
PNG
((1S,3'R,6'R,7'S,12'R)- 6-chloro-12'-ethyl-7'- (hyd...)
Show SMILES CC[C@@H]1CCCC[C@H](CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS1(=O)=O |r|
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UniChem
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n/an/a 0.359n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543889
PNG
((1S,3'R,6'S,7'S,11'S,12'R)- 7'-((4-acetyl-1- piper...)
Show SMILES C[C@H]1CCC[C@H](CN2CCN(CC2)C(C)=O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r|
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UniChem
US Patent
n/an/a 0.375n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543916
PNG
((1s,3′r,6′r,7′r,8′e,11R...)
Show SMILES CC[C@@H](O)[C@@H]1\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:5|
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n/an/a 0.377n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543929
PNG
((1S,3'R,6'R,7'R,8'E, 11'S,12'R)- 6-chloro-11',12'-...)
Show SMILES C[C@H]1C\C=C\[C@H](CN2CCOCC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C |r,t:3|
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UniChem
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n/an/a 0.388n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1

J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543909
PNG
((1S,3'R,6'S,7'R,11'S,12'R)- 6-chloro-7'-((4-(2- me...)
Show SMILES COCCN1CCCN(C[C@H]2CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c3ccc4OC[C@]5(CCCc6cc(Cl)ccc56)CN(C[C@@H]5CC[C@@H]25)c4c3)CC1=O |r|
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US Patent
n/an/a 0.408n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543941
PNG
((1s,36′r,6′r,7′r,11′s,12&#...)
Show SMILES C[C@H]1CCC[C@H]([C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C)C(O)=O |r|
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n/an/a 0.442n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]


(Homo sapiens (Human))		BDBM543888
PNG
((1s,3′r,6′r,7′s, 1s, 12′r)...)
Show SMILES C[C@H](O)[C@@H]1CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r|
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n/an/a 0.489n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35KF
More data for this
Ligand-Target Pair
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