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PubMed code 12646021

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125748
PNG
(2-Acetylamino-N-[2-(4-butyryl-4-phenyl-piperidin-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)c1ccccc1
Show InChI InChI=1S/C33H41N5O5/c1-4-8-30(40)33(25-9-6-5-7-10-25)15-17-38(18-16-33)32(42)29(19-24-11-13-27(43-3)14-12-24)37-31(41)28(36-23(2)39)20-26-21-34-22-35-26/h5-7,9-14,21-22,28-29H,4,8,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,41)/t28-,29-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125747
PNG
(CHEMBL276012 | N-[2-(4-Butyryl-4-phenyl-piperidin-...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](O)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H38N4O5/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-35(17-15-31)30(39)26(18-22-10-12-25(40-2)13-11-22)34-29(38)27(36)19-24-20-32-21-33-24/h4-6,8-13,20-21,26-27,36H,3,7,14-19H2,1-2H3,(H,32,33)(H,34,38)/t26-,27-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125743
PNG
(CHEMBL276301 | N-[2-(4-Butyryl-4-phenyl-piperidin-...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)CCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H38N4O4/c1-3-7-28(36)31(24-8-5-4-6-9-24)16-18-35(19-17-31)30(38)27(20-23-10-13-26(39-2)14-11-23)34-29(37)15-12-25-21-32-22-33-25/h4-6,8-11,13-14,21-22,27H,3,7,12,15-20H2,1-2H3,(H,32,33)(H,34,37)/t27-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125744
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](N)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H39N5O4/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-36(17-15-31)30(39)27(18-22-10-12-25(40-2)13-11-22)35-29(38)26(32)19-24-20-33-21-34-24/h4-6,8-13,20-21,26-27H,3,7,14-19,32H2,1-2H3,(H,33,34)(H,35,38)/t26-,27-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125749
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](N)Cc1cncn1C)c1ccccc1
Show InChI InChI=1S/C32H41N5O4/c1-4-8-29(38)32(24-9-6-5-7-10-24)15-17-37(18-16-32)31(40)28(19-23-11-13-26(41-3)14-12-23)35-30(39)27(33)20-25-21-34-22-36(25)2/h5-7,9-14,21-22,27-28H,4,8,15-20,33H2,1-3H3,(H,35,39)/t27-,28+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125751
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H39N5O4/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-36(17-15-31)30(39)27(18-22-10-12-25(40-2)13-11-22)35-29(38)26(32)19-24-20-33-21-34-24/h4-6,8-13,20-21,26-27H,3,7,14-19,32H2,1-2H3,(H,33,34)(H,35,38)/t26-,27+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125745
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](N)Cc1cncn1C)c1ccccc1
Show InChI InChI=1S/C32H41N5O4/c1-4-8-29(38)32(24-9-6-5-7-10-24)15-17-37(18-16-32)31(40)28(19-23-11-13-26(41-3)14-12-23)35-30(39)27(33)20-25-21-34-22-36(25)2/h5-7,9-14,21-22,27-28H,4,8,15-20,33H2,1-3H3,(H,35,39)/t27-,28-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50125744
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](N)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H39N5O4/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-36(17-15-31)30(39)27(18-22-10-12-25(40-2)13-11-22)35-29(38)26(32)19-24-20-33-21-34-24/h4-6,8-13,20-21,26-27H,3,7,14-19,32H2,1-2H3,(H,33,34)(H,35,38)/t26-,27-/m1/s1
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n/an/an/an/a 630n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 4 receptor (MC4R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50125748
PNG
(2-Acetylamino-N-[2-(4-butyryl-4-phenyl-piperidin-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)c1ccccc1
Show InChI InChI=1S/C33H41N5O5/c1-4-8-30(40)33(25-9-6-5-7-10-25)15-17-38(18-16-33)32(42)29(19-24-11-13-27(43-3)14-12-24)37-31(41)28(36-23(2)39)20-26-21-34-22-35-26/h5-7,9-14,21-22,28-29H,4,8,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a 23n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 4 receptor (MC4R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50125749
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](N)Cc1cncn1C)c1ccccc1
Show InChI InChI=1S/C32H41N5O4/c1-4-8-29(38)32(24-9-6-5-7-10-24)15-17-37(18-16-32)31(40)28(19-23-11-13-26(41-3)14-12-23)35-30(39)27(33)20-25-21-34-22-36(25)2/h5-7,9-14,21-22,27-28H,4,8,15-20,33H2,1-3H3,(H,35,39)/t27-,28+/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 4 receptor (MC4R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 5 receptor (MC5R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125748
PNG
(2-Acetylamino-N-[2-(4-butyryl-4-phenyl-piperidin-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)c1ccccc1
Show InChI InChI=1S/C33H41N5O5/c1-4-8-30(40)33(25-9-6-5-7-10-25)15-17-38(18-16-33)32(42)29(19-24-11-13-27(43-3)14-12-24)37-31(41)28(36-23(2)39)20-26-21-34-22-35-26/h5-7,9-14,21-22,28-29H,4,8,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a 0.350n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 1 receptor (MC1R) in SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125745
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](N)Cc1cncn1C)c1ccccc1
Show InChI InChI=1S/C32H41N5O4/c1-4-8-29(38)32(24-9-6-5-7-10-24)15-17-37(18-16-32)31(40)28(19-23-11-13-26(41-3)14-12-23)35-30(39)27(33)20-25-21-34-22-36(25)2/h5-7,9-14,21-22,27-28H,4,8,15-20,33H2,1-3H3,(H,35,39)/t27-,28-/m1/s1
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n/an/an/an/a 510n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 1 receptor (MC1R) in SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50125748
PNG
(2-Acetylamino-N-[2-(4-butyryl-4-phenyl-piperidin-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)c1ccccc1
Show InChI InChI=1S/C33H41N5O5/c1-4-8-30(40)33(25-9-6-5-7-10-25)15-17-38(18-16-33)32(42)29(19-24-11-13-27(43-3)14-12-24)37-31(41)28(36-23(2)39)20-26-21-34-22-35-26/h5-7,9-14,21-22,28-29H,4,8,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 3 receptor (MC3R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50125746
PNG
(1'-[3-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-3-is...)
Show SMILES COc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC3(CN(c4ccccc34)S(C)(=O)=O)CC2)cc1
Show InChI InChI=1S/C33H38N4O5S/c1-42-26-13-11-23(12-14-26)19-29(35-31(38)28-20-24-7-3-4-8-25(24)21-34-28)32(39)36-17-15-33(16-18-36)22-37(43(2,40)41)30-10-6-5-9-27(30)33/h3-14,28-29,34H,15-22H2,1-2H3,(H,35,38)/t28-,29-/m1/s1
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n/an/an/an/a 40n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 4 receptor (MC4R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50125747
PNG
(CHEMBL276012 | N-[2-(4-Butyryl-4-phenyl-piperidin-...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](O)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H38N4O5/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-35(17-15-31)30(39)26(18-22-10-12-25(40-2)13-11-22)34-29(38)27(36)19-24-20-32-21-33-24/h4-6,8-13,20-21,26-27,36H,3,7,14-19H2,1-2H3,(H,32,33)(H,34,38)/t26-,27-/m1/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 5 receptor (MC5R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125746
PNG
(1'-[3-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydro-3-is...)
Show SMILES COc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC3(CN(c4ccccc34)S(C)(=O)=O)CC2)cc1
Show InChI InChI=1S/C33H38N4O5S/c1-42-26-13-11-23(12-14-26)19-29(35-31(38)28-20-24-7-3-4-8-25(24)21-34-28)32(39)36-17-15-33(16-18-36)22-37(43(2,40)41)30-10-6-5-9-27(30)33/h3-14,28-29,34H,15-22H2,1-2H3,(H,35,38)/t28-,29-/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Melanocortin 1 receptor (MC1R)

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50125743
PNG
(CHEMBL276301 | N-[2-(4-Butyryl-4-phenyl-piperidin-...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)CCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H38N4O4/c1-3-7-28(36)31(24-8-5-4-6-9-24)16-18-35(19-17-31)30(38)27(20-23-10-13-26(39-2)14-11-23)34-29(37)15-12-25-21-32-22-33-25/h4-6,8-11,13-14,21-22,27H,3,7,12,15-20H2,1-2H3,(H,32,33)(H,34,37)/t27-/m1/s1
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n/an/an/an/a 9.40E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 5 receptor (MC5R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50125747
PNG
(CHEMBL276012 | N-[2-(4-Butyryl-4-phenyl-piperidin-...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](O)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H38N4O5/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-35(17-15-31)30(39)26(18-22-10-12-25(40-2)13-11-22)34-29(38)27(36)19-24-20-32-21-33-24/h4-6,8-13,20-21,26-27,36H,3,7,14-19H2,1-2H3,(H,32,33)(H,34,38)/t26-,27-/m1/s1
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n/an/an/an/a 77n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 4 receptor (MC4R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125743
PNG
(CHEMBL276301 | N-[2-(4-Butyryl-4-phenyl-piperidin-...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)CCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H38N4O4/c1-3-7-28(36)31(24-8-5-4-6-9-24)16-18-35(19-17-31)30(38)27(20-23-10-13-26(39-2)14-11-23)34-29(37)15-12-25-21-32-22-33-25/h4-6,8-11,13-14,21-22,27H,3,7,12,15-20H2,1-2H3,(H,32,33)(H,34,37)/t27-/m1/s1
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n/an/an/an/a 2.5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 1 receptor (MC1R) in SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125751
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H39N5O4/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-36(17-15-31)30(39)27(18-22-10-12-25(40-2)13-11-22)35-29(38)26(32)19-24-20-33-21-34-24/h4-6,8-13,20-21,26-27H,3,7,14-19,32H2,1-2H3,(H,33,34)(H,35,38)/t26-,27+/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 1 receptor (MC1R) in SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50125749
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](N)Cc1cncn1C)c1ccccc1
Show InChI InChI=1S/C32H41N5O4/c1-4-8-29(38)32(24-9-6-5-7-10-24)15-17-37(18-16-32)31(40)28(19-23-11-13-26(41-3)14-12-23)35-30(39)27(33)20-25-21-34-22-36(25)2/h5-7,9-14,21-22,27-28H,4,8,15-20,33H2,1-3H3,(H,35,39)/t27-,28+/m0/s1
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n/an/an/an/a 4.40E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 5 receptor (MC5R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
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n/an/an/an/a 0.190n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Melanocortin 1 receptor (MC1R)

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125744
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](N)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H39N5O4/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-36(17-15-31)30(39)27(18-22-10-12-25(40-2)13-11-22)35-29(38)26(32)19-24-20-33-21-34-24/h4-6,8-13,20-21,26-27H,3,7,14-19,32H2,1-2H3,(H,33,34)(H,35,38)/t26-,27-/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 1 receptor (MC1R) in SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50125743
PNG
(CHEMBL276301 | N-[2-(4-Butyryl-4-phenyl-piperidin-...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)CCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H38N4O4/c1-3-7-28(36)31(24-8-5-4-6-9-24)16-18-35(19-17-31)30(38)27(20-23-10-13-26(39-2)14-11-23)34-29(37)15-12-25-21-32-22-33-25/h4-6,8-11,13-14,21-22,27H,3,7,12,15-20H2,1-2H3,(H,32,33)(H,34,37)/t27-/m1/s1
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n/an/an/an/a 840n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 4 receptor (MC4R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125749
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](N)Cc1cncn1C)c1ccccc1
Show InChI InChI=1S/C32H41N5O4/c1-4-8-29(38)32(24-9-6-5-7-10-24)15-17-37(18-16-32)31(40)28(19-23-11-13-26(41-3)14-12-23)35-30(39)27(33)20-25-21-34-22-36(25)2/h5-7,9-14,21-22,27-28H,4,8,15-20,33H2,1-3H3,(H,35,39)/t27-,28+/m0/s1
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n/an/an/an/a 28n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 1 receptor (MC1R) in SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50125747
PNG
(CHEMBL276012 | N-[2-(4-Butyryl-4-phenyl-piperidin-...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](O)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H38N4O5/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-35(17-15-31)30(39)26(18-22-10-12-25(40-2)13-11-22)34-29(38)27(36)19-24-20-32-21-33-24/h4-6,8-13,20-21,26-27,36H,3,7,14-19H2,1-2H3,(H,32,33)(H,34,38)/t26-,27-/m1/s1
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n/an/an/an/a 3.80n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 1 receptor (MC1R) in SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
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n/an/an/an/a 2.90n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 4 receptor (MC4R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50125747
PNG
(CHEMBL276012 | N-[2-(4-Butyryl-4-phenyl-piperidin-...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](O)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H38N4O5/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-35(17-15-31)30(39)26(18-22-10-12-25(40-2)13-11-22)34-29(38)27(36)19-24-20-32-21-33-24/h4-6,8-13,20-21,26-27,36H,3,7,14-19H2,1-2H3,(H,32,33)(H,34,38)/t26-,27-/m1/s1
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n/an/an/an/a 3.90E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin-3 receptor (MC3R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50125744
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](N)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H39N5O4/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-36(17-15-31)30(39)27(18-22-10-12-25(40-2)13-11-22)35-29(38)26(32)19-24-20-33-21-34-24/h4-6,8-13,20-21,26-27H,3,7,14-19,32H2,1-2H3,(H,33,34)(H,35,38)/t26-,27-/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 5 receptor (MC5R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50125748
PNG
(2-Acetylamino-N-[2-(4-butyryl-4-phenyl-piperidin-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)c1ccccc1
Show InChI InChI=1S/C33H41N5O5/c1-4-8-30(40)33(25-9-6-5-7-10-25)15-17-38(18-16-33)32(42)29(19-24-11-13-27(43-3)14-12-24)37-31(41)28(36-23(2)39)20-26-21-34-22-35-26/h5-7,9-14,21-22,28-29H,4,8,15-20H2,1-3H3,(H,34,35)(H,36,39)(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a 3.90E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 5 receptor (MC5R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50125743
PNG
(CHEMBL276301 | N-[2-(4-Butyryl-4-phenyl-piperidin-...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)CCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H38N4O4/c1-3-7-28(36)31(24-8-5-4-6-9-24)16-18-35(19-17-31)30(38)27(20-23-10-13-26(39-2)14-11-23)34-29(37)15-12-25-21-32-22-33-25/h4-6,8-11,13-14,21-22,27H,3,7,12,15-20H2,1-2H3,(H,32,33)(H,34,37)/t27-/m1/s1
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n/an/an/an/a 7.00E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 3 receptor (MC3R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50125744
PNG
(2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](N)Cc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C31H39N5O4/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-36(17-15-31)30(39)27(18-22-10-12-25(40-2)13-11-22)35-29(38)26(32)19-24-20-33-21-34-24/h4-6,8-13,20-21,26-27H,3,7,14-19,32H2,1-2H3,(H,33,34)(H,35,38)/t26-,27-/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 3 receptor (MC3R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
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n/an/an/an/a 250n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 3 receptor (MC3R) was determined by a SPA-based cAMP assay in melanoma cells

J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%