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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 382.4
BDBM258801
Wt: 394.5
BDBM258660
Wt: 380.4
BDBM258661
Wt: 380.4
BDBM258687
Wt: 394.5
BDBM258688
Wt: 396.4
BDBM258616
Wt: 390.5
BDBM258737
Wt: 390.5
BDBM258738
Wt: 382.4
BDBM258636
Wt: 398.4
BDBM258804
Wt: 398.4
BDBM258806
Wt: 398.4
BDBM258807
Wt: 396.5
BDBM258815
Wt: 380.4
BDBM258833
Wt: 394.4
BDBM258835
Displayed 1 to 15 (of 247 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258688
PNG
(US9499482, 87)
Show SMILES CN(C)CCOc1ccc(cc1C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O
Show InChI InChI=1S/C24H30N2O3/c1-17-16-20(8-11-22(17)28-15-14-25(2)3)26-13-12-23(24(26)27)29-21-9-6-19(7-10-21)18-4-5-18/h6-11,16,18,23H,4-5,12-15H2,1-3H3/t23-/m0/s1
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UniChem
US Patent
1n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258687
PNG
(US9499482, 86)
Show SMILES CNCCOc1ccc(cc1C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O
Show InChI InChI=1S/C23H28N2O3/c1-16-15-19(7-10-21(16)27-14-12-24-2)25-13-11-22(23(25)26)28-20-8-5-18(6-9-20)17-3-4-17/h5-10,15,17,22,24H,3-4,11-14H2,1-2H3/t22-/m0/s1
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US Patent
1.10n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258616
PNG
(US9499482, 15)
Show SMILES CNCCOc1ccc(cc1OC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O
Show InChI InChI=1S/C23H28N2O4/c1-24-12-14-28-20-10-7-18(15-22(20)27-2)25-13-11-21(23(25)26)29-19-8-5-17(6-9-19)16-3-4-16/h5-10,15-16,21,24H,3-4,11-14H2,1-2H3/t21-/m0/s1
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1.60n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258660
PNG
(US9499482, 59)
Show SMILES CCc1cc(ccc1OCCNC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O
Show InChI InChI=1S/C24H30N2O3/c1-3-17-16-20(8-11-22(17)28-15-13-25-2)26-14-12-23(24(26)27)29-21-9-6-19(7-10-21)18-4-5-18/h6-11,16,18,23,25H,3-5,12-15H2,1-2H3/t23-/m0/s1
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3n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258636
PNG
(US9499482, 35)
Show SMILES COc1cc(ccc1OCCN)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O
Show InChI InChI=1S/C22H26N2O4/c1-26-21-14-17(6-9-19(21)27-13-11-23)24-12-10-20(22(24)25)28-18-7-4-16(5-8-18)15-2-3-15/h4-9,14-15,20H,2-3,10-13,23H2,1H3/t20-/m0/s1
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PC sid
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US Patent
3n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258661
PNG
(US9499482, 60)
Show SMILES CCc1cc(ccc1OCCN)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O
Show InChI InChI=1S/C23H28N2O3/c1-2-16-15-19(7-10-21(16)27-14-12-24)25-13-11-22(23(25)26)28-20-8-5-18(6-9-20)17-3-4-17/h5-10,15,17,22H,2-4,11-14,24H2,1H3/t22-/m0/s1
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4n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258737
PNG
(US9499482, 136)
Show SMILES CCc1cc(ccc1N1CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O
Show InChI InChI=1S/C25H30N2O2/c1-2-18-17-21(9-12-23(18)26-14-3-4-15-26)27-16-13-24(25(27)28)29-22-10-7-20(8-11-22)19-5-6-19/h7-12,17,19,24H,2-6,13-16H2,1H3/t24-/m0/s1
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167n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258804
PNG
(US9499482, 237)
Show SMILES COC1CN(CCO[C@H]2C[C@H](C2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1
Show InChI InChI=1S/C23H30N2O4/c1-27-21-14-24(15-21)10-11-28-20-12-18(13-20)25-9-8-22(23(25)26)29-19-6-4-17(5-7-19)16-2-3-16/h4-8,16,18,20-21H,2-3,9-15H2,1H3/t18-,20+
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US Patent
339n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258835
PNG
(US9499482, 270)
Show SMILES COC1CN(CCn2cc(cn2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1
Show InChI InChI=1S/C22H26N4O3/c1-28-20-14-24(15-20)10-11-25-13-18(12-23-25)26-9-8-21(22(26)27)29-19-6-4-17(5-7-19)16-2-3-16/h4-8,12-13,16,20H,2-3,9-11,14-15H2,1H3
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400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258815
PNG
(US9499482, 249)
Show SMILES O=C1N(CC=C1Oc1ccc(cc1)C1CC1)[C@H]1CC[C@@H](CC1)OCCN1CCC1
Show InChI InChI=1S/C24H32N2O3/c27-24-23(29-22-8-4-19(5-9-22)18-2-3-18)12-15-26(24)20-6-10-21(11-7-20)28-17-16-25-13-1-14-25/h4-5,8-9,12,18,20-21H,1-3,6-7,10-11,13-17H2/t20-,21-
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US Patent
790n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258833
PNG
(US9499482, 268)
Show SMILES OC1CN(CCn2cc(cn2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1
Show InChI InChI=1S/C21H24N4O3/c26-18-13-23(14-18)9-10-24-12-17(11-22-24)25-8-7-20(21(25)27)28-19-5-3-16(4-6-19)15-1-2-15/h3-7,11-12,15,18,26H,1-2,8-10,13-14H2
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US Patent
923n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258801
PNG
(US9499482, 232)
Show SMILES O=C1N(CC=C1Oc1ccc(cc1)C1CC1)[C@@H]1C[C@@H](C1)OCCN1CCCC1
Show InChI InChI=1S/C23H30N2O3/c26-23-22(28-20-7-5-18(6-8-20)17-3-4-17)9-12-25(23)19-15-21(16-19)27-14-13-24-10-1-2-11-24/h5-9,17,19,21H,1-4,10-16H2/t19-,21+
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939n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258738
PNG
(US9499482, 137)
Show SMILES CCc1cc(ccc1N1CCCC1)N1CC[C@@H](Oc2ccc(cc2)C2CC2)C1=O
Show InChI InChI=1S/C25H30N2O2/c1-2-18-17-21(9-12-23(18)26-14-3-4-15-26)27-16-13-24(25(27)28)29-22-10-7-20(8-11-22)19-5-6-19/h7-12,17,19,24H,2-6,13-16H2,1H3/t24-/m1/s1
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1.36E+3n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258807
PNG
(US9499482, 241)
Show SMILES O[C@@H]1CCN(CCO[C@H]2C[C@H](C2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1
Show InChI InChI=1S/C23H30N2O4/c26-19-7-9-24(15-19)11-12-28-21-13-18(14-21)25-10-8-22(23(25)27)29-20-5-3-17(4-6-20)16-1-2-16/h3-6,8,16,18-19,21,26H,1-2,7,9-15H2/t18-,19-,21+/m1/s1
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2.36E+3n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258806
PNG
(US9499482, 240)
Show SMILES CC1(O)CN(CCO[C@H]2C[C@H](C2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1
Show InChI InChI=1S/C23H30N2O4/c1-23(27)14-24(15-23)10-11-28-20-12-18(13-20)25-9-8-21(22(25)26)29-19-6-4-17(5-7-19)16-2-3-16/h4-8,16,18,20,27H,2-3,9-15H2,1H3/t18-,20+
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3.00E+3n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair