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Compile Data Set for Download or QSAR

Found 6083 hits with Last Name = 'yang' and Initial = 'w'   
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))
BDBM250661
PNG
(US9447148, 9.30)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
Show InChI InChI=1/C51H68N14O9/c1-3-4-18-36(59-30(2)66)45(69)61-38-20-21-43(67)56-24-22-39(48(72)63-40(44(52)68)26-33-16-10-15-32-14-8-9-17-35(32)33)62-46(70)37(19-11-23-57-51(53)54)60-49(73)41(25-31-12-6-5-7-13-31)64-50(74)42(65-47(38)71)27-34-28-55-29-58-34/h5-10,12-17,28-29,36-42H,3-4,11,18-27H2,1-2H3,(H2,52,68)(H,55,58)(H,56,67)(H,59,66)(H,60,73)(H,61,69)(H,62,70)(H,63,72)(H,64,74)(H,65,71)(H4,53,54,57)/t36-,37-,38-,39-,40-,41+,42-/s2
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0.00500 -67.1n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250652
PNG
(US9447148, 9.21)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)CC1CCCC1 |r|
Show InChI InChI=1/C48H64N14O8/c49-42(65)37(23-30-25-55-33-14-7-6-13-32(30)33)60-45(68)36-18-20-53-40(63)17-16-35(57-41(64)22-29-11-4-5-12-29)44(67)62-39(24-31-26-52-27-56-31)47(70)61-38(21-28-9-2-1-3-10-28)46(69)58-34(43(66)59-36)15-8-19-54-48(50)51/h1-3,6-7,9-10,13-14,25-27,29,34-39,55H,4-5,8,11-12,15-24H2,(H2,49,65)(H,52,56)(H,53,63)(H,57,64)(H,58,69)(H,59,66)(H,60,68)(H,61,70)(H,62,67)(H4,50,51,54)/t34-,35-,36-,37-,38+,39-/s2
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0.0100 -65.3n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250653
PNG
(US9447148, 9.22)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)CC1CCCCC1 |r|
Show InChI InChI=1/C49H66N14O8/c50-43(66)38(24-31-26-56-34-15-8-7-14-33(31)34)61-46(69)37-19-21-54-41(64)18-17-36(58-42(65)23-30-12-5-2-6-13-30)45(68)63-40(25-32-27-53-28-57-32)48(71)62-39(22-29-10-3-1-4-11-29)47(70)59-35(44(67)60-37)16-9-20-55-49(51)52/h1,3-4,7-8,10-11,14-15,26-28,30,35-40,56H,2,5-6,9,12-13,16-25H2,(H2,50,66)(H,53,57)(H,54,64)(H,58,65)(H,59,70)(H,60,67)(H,61,69)(H,62,71)(H,63,68)(H4,51,52,55)/t35-,36-,37-,38-,39+,40-/s2
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0.0100 -65.3n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250642
PNG
(US9447148, 9.10)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C51H68N14O9/c1-3-4-15-36(59-30(2)66)45(69)61-38-19-20-43(67)56-23-21-39(48(72)63-40(44(52)68)26-32-17-18-33-13-8-9-14-34(33)24-32)62-46(70)37(16-10-22-57-51(53)54)60-49(73)41(25-31-11-6-5-7-12-31)64-50(74)42(65-47(38)71)27-35-28-55-29-58-35/h5-9,11-14,17-18,24,28-29,36-42H,3-4,10,15-16,19-23,25-27H2,1-2H3,(H2,52,68)(H,55,58)(H,56,67)(H,59,66)(H,60,73)(H,61,69)(H,62,70)(H,63,72)(H,64,74)(H,65,71)(H4,53,54,57)/t36-,37-,38-,39-,40-,41+,42-/s2
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0.0100 -65.3n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250633
PNG
(US9447148, 9.1)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C51H71N15O9/c1-3-4-16-36(60-30(2)67)45(70)63-39-20-21-43(68)56-22-11-10-18-37(47(72)64-40(44(52)69)25-32-27-58-35-17-9-8-15-34(32)35)61-46(71)38(19-12-23-57-51(53)54)62-49(74)41(24-31-13-6-5-7-14-31)65-50(75)42(66-48(39)73)26-33-28-55-29-59-33/h5-9,13-15,17,27-29,36-42,58H,3-4,10-12,16,18-26H2,1-2H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,71)(H,62,74)(H,63,70)(H,64,72)(H,65,75)(H,66,73)(H4,53,54,57)/t36-,37-,38-,39-,40-,41+,42-/s2
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0.0100 -65.3n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250634
PNG
(US9447148, 9.2 | US9447148, 9.31)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C49H67N15O9/c1-3-4-14-34(58-28(2)65)43(68)60-36-17-18-41(66)54-21-19-37(46(71)62-38(42(50)67)23-30-25-56-33-15-9-8-13-32(30)33)61-44(69)35(16-10-20-55-49(51)52)59-47(72)39(22-29-11-6-5-7-12-29)63-48(73)40(64-45(36)70)24-31-26-53-27-57-31/h5-9,11-13,15,25-27,34-40,56H,3-4,10,14,16-24H2,1-2H3,(H2,50,67)(H,53,57)(H,54,66)(H,58,65)(H,59,72)(H,60,68)(H,61,69)(H,62,71)(H,63,73)(H,64,70)(H4,51,52,55)/t34-,35-,36-,37-,38-,39+,40-/s2
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0.0120 -64.8n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250668
PNG
(US9447148, 9.37 | US9447148, 9.50)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C49H72N16O9/c1-3-4-15-33(59-28(2)66)42(69)62-36-19-20-40(67)55-24-21-37(46(73)64-38(41(50)68)26-30-27-58-32-16-9-8-14-31(30)32)63-43(70)34(17-10-22-56-48(51)52)61-47(74)39(25-29-12-6-5-7-13-29)65-44(71)35(60-45(36)72)18-11-23-57-49(53)54/h5-9,12-14,16,27,33-39,58H,3-4,10-11,15,17-26H2,1-2H3,(H2,50,68)(H,55,67)(H,59,66)(H,60,72)(H,61,74)(H,62,69)(H,63,70)(H,64,73)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t33-,34-,35-,36-,37-,38-,39+/s2
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0.0140 -64.4n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250668
PNG
(US9447148, 9.37 | US9447148, 9.50)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C49H72N16O9/c1-3-4-15-33(59-28(2)66)42(69)62-36-19-20-40(67)55-24-21-37(46(73)64-38(41(50)68)26-30-27-58-32-16-9-8-14-31(30)32)63-43(70)34(17-10-22-56-48(51)52)61-47(74)39(25-29-12-6-5-7-13-29)65-44(71)35(60-45(36)72)18-11-23-57-49(53)54/h5-9,12-14,16,27,33-39,58H,3-4,10-11,15,17-26H2,1-2H3,(H2,50,68)(H,55,67)(H,59,66)(H,60,72)(H,61,74)(H,62,69)(H,63,70)(H,64,73)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t33-,34-,35-,36-,37-,38-,39+/s2
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0.0140 -64.4n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250649
PNG
(US9447148, 9.18)
Show SMILES CCCCCCC(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C48H66N14O8/c1-2-3-4-8-17-41(64)57-35-18-19-40(63)53-22-20-36(45(68)60-37(42(49)65)24-30-26-55-33-15-10-9-14-32(30)33)59-43(66)34(16-11-21-54-48(50)51)58-46(69)38(23-29-12-6-5-7-13-29)61-47(70)39(62-44(35)67)25-31-27-52-28-56-31/h5-7,9-10,12-15,26-28,34-39,55H,2-4,8,11,16-25H2,1H3,(H2,49,65)(H,52,56)(H,53,63)(H,57,64)(H,58,69)(H,59,66)(H,60,68)(H,61,70)(H,62,67)(H4,50,51,54)/t34-,35-,36-,37-,38+,39-/s2
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0.0150 -64.3n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250673
PNG
(US9447148, 9.42 | US9447148, 9.55)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C48H70N14O9/c1-3-4-15-33(56-28(2)63)42(66)59-36-19-20-40(64)53-24-21-37(46(70)61-38(41(50)65)26-30-27-55-32-16-9-8-14-31(30)32)60-43(67)35(18-11-23-54-48(51)52)58-47(71)39(25-29-12-6-5-7-13-29)62-44(68)34(17-10-22-49)57-45(36)69/h5-9,12-14,16,27,33-39,55H,3-4,10-11,15,17-26,49H2,1-2H3,(H2,50,65)(H,53,64)(H,56,63)(H,57,69)(H,58,71)(H,59,66)(H,60,67)(H,61,70)(H,62,68)(H4,51,52,54)/t33-,34-,35-,36-,37-,38-,39+/s2
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0.0150 -64.3n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250658
PNG
(US9447148, 9.27)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCNC(=O)CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C52H72N16O10/c1-3-4-14-36(62-30(2)69)46(73)64-39-20-23-58-44(71)18-17-43(70)57-22-19-38(48(75)66-40(45(53)72)25-32-27-60-35-15-9-8-13-34(32)35)65-47(74)37(16-10-21-59-52(54)55)63-50(77)41(24-31-11-6-5-7-12-31)67-51(78)42(68-49(39)76)26-33-28-56-29-61-33/h5-9,11-13,15,27-29,36-42,60H,3-4,10,14,16-26H2,1-2H3,(H2,53,72)(H,56,61)(H,57,70)(H,58,71)(H,62,69)(H,63,77)(H,64,73)(H,65,74)(H,66,75)(H,67,78)(H,68,76)(H4,54,55,59)/t36-,37-,38-,39-,40-,41+,42-/s2
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0.0150 -64.3n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250673
PNG
(US9447148, 9.42 | US9447148, 9.55)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C48H70N14O9/c1-3-4-15-33(56-28(2)63)42(66)59-36-19-20-40(64)53-24-21-37(46(70)61-38(41(50)65)26-30-27-55-32-16-9-8-14-31(30)32)60-43(67)35(18-11-23-54-48(51)52)58-47(71)39(25-29-12-6-5-7-13-29)62-44(68)34(17-10-22-49)57-45(36)69/h5-9,12-14,16,27,33-39,55H,3-4,10-11,15,17-26,49H2,1-2H3,(H2,50,65)(H,53,64)(H,56,63)(H,57,69)(H,58,71)(H,59,66)(H,60,67)(H,61,70)(H,62,68)(H4,51,52,54)/t33-,34-,35-,36-,37-,38-,39+/s2
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0.0150 -64.3n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250643
PNG
(US9447148, 9.11)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C51H68N14O9/c1-3-4-15-36(59-30(2)66)45(69)61-38-19-20-43(67)56-23-21-39(48(72)63-40(44(52)68)26-32-17-18-33-13-8-9-14-34(33)24-32)62-46(70)37(16-10-22-57-51(53)54)60-49(73)41(25-31-11-6-5-7-12-31)64-50(74)42(65-47(38)71)27-35-28-55-29-58-35/h5-9,11-14,17-18,24,28-29,36-42H,3-4,10,15-16,19-23,25-27H2,1-2H3,(H2,52,68)(H,55,58)(H,56,67)(H,59,66)(H,60,73)(H,61,69)(H,62,70)(H,63,72)(H,64,74)(H,65,71)(H4,53,54,57)/t36-,37-,38-,39-,40+,41+,42-/s2
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0.0200 -63.5n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250651
PNG
(US9447148, 9.20)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1/C48H64N14O8/c49-41(64)37(23-30-25-55-33-15-8-7-14-32(30)33)60-45(68)36-19-21-53-40(63)18-17-35(57-42(65)29-12-5-2-6-13-29)44(67)62-39(24-31-26-52-27-56-31)47(70)61-38(22-28-10-3-1-4-11-28)46(69)58-34(43(66)59-36)16-9-20-54-48(50)51/h1,3-4,7-8,10-11,14-15,25-27,29,34-39,55H,2,5-6,9,12-13,16-24H2,(H2,49,64)(H,52,56)(H,53,63)(H,57,65)(H,58,69)(H,59,66)(H,60,68)(H,61,70)(H,62,67)(H4,50,51,54)/t34-,35-,36-,37-,38+,39-/s2
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0.0250 -62.9n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250660
PNG
(US9447148, 9.29)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCNC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C51H70N16O10/c1-3-4-14-35(61-29(2)68)45(72)63-37-19-21-56-42(69)17-18-43(70)59-27-41(50(77)64-38(44(52)71)23-31-25-58-34-15-9-8-13-33(31)34)67-46(73)36(16-10-20-57-51(53)54)62-48(75)39(22-30-11-6-5-7-12-30)65-49(76)40(66-47(37)74)24-32-26-55-28-60-32/h5-9,11-13,15,25-26,28,35-41,58H,3-4,10,14,16-24,27H2,1-2H3,(H2,52,71)(H,55,60)(H,56,69)(H,59,70)(H,61,68)(H,62,75)(H,63,72)(H,64,77)(H,65,76)(H,66,74)(H,67,73)(H4,53,54,57)/t35-,36-,37-,38-,39+,40-,41-/s2
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0.0250 -62.9n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250648
PNG
(US9447148, 9.17)
Show SMILES CCCCCC(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C47H64N14O8/c1-2-3-5-16-40(63)56-34-17-18-39(62)52-21-19-35(44(67)59-36(41(48)64)23-29-25-54-32-14-9-8-13-31(29)32)58-42(65)33(15-10-20-53-47(49)50)57-45(68)37(22-28-11-6-4-7-12-28)60-46(69)38(61-43(34)66)24-30-26-51-27-55-30/h4,6-9,11-14,25-27,33-38,54H,2-3,5,10,15-24H2,1H3,(H2,48,64)(H,51,55)(H,52,62)(H,56,63)(H,57,68)(H,58,65)(H,59,67)(H,60,69)(H,61,66)(H4,49,50,53)/t33-,34-,35-,36-,37+,38-/s2
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0.0250 -62.9n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241371
PNG
(US9409908, 3)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cc-2ccn3)c1 |r,c:22|
Show InChI InChI=1/C32H29ClFN5O4/c1-18-4-3-5-27(39-13-11-20(15-28(39)40)29-21(17-35)6-9-24(33)30(29)34)26-14-19(10-12-36-26)23-8-7-22(37-32(42)43-2)16-25(23)38-31(18)41/h6-10,12,14-16,18,27H,3-5,11,13H2,1-2H3,(H,37,42)(H,38,41)/t18-,27+/s2
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0.0300n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250659
PNG
(US9447148, 9.28)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C50H68N16O10/c1-3-4-14-34(60-28(2)67)44(71)65-40-26-58-42(69)18-17-41(68)57-25-39(48(75)62-36(43(51)70)21-30-23-56-33-15-9-8-13-32(30)33)66-45(72)35(16-10-19-55-50(52)53)61-46(73)37(20-29-11-6-5-7-12-29)63-47(74)38(64-49(40)76)22-31-24-54-27-59-31/h5-9,11-13,15,23-24,27,34-40,56H,3-4,10,14,16-22,25-26H2,1-2H3,(H2,51,70)(H,54,59)(H,57,68)(H,58,69)(H,60,67)(H,61,73)(H,62,75)(H,63,74)(H,64,76)(H,65,71)(H,66,72)(H4,52,53,55)/t34-,35-,36-,37+,38-,39-,40-/s2
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0.0300 -62.5n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250655
PNG
(US9447148, 9.24)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)CCc1ccccc1 |r|
Show InChI InChI=1/C50H62N14O8/c51-44(67)39(25-32-27-57-35-15-8-7-14-34(32)35)62-47(70)38-21-23-55-42(65)20-18-37(59-43(66)19-17-30-10-3-1-4-11-30)46(69)64-41(26-33-28-54-29-58-33)49(72)63-40(24-31-12-5-2-6-13-31)48(71)60-36(45(68)61-38)16-9-22-56-50(52)53/h1-8,10-15,27-29,36-41,57H,9,16-26H2,(H2,51,67)(H,54,58)(H,55,65)(H,59,66)(H,60,71)(H,61,68)(H,62,70)(H,63,72)(H,64,69)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-/s2
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0.0300 -62.5n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241399
PNG
(US9409908, 31)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3OC(F)F)c3ccnc-2c3)c1 |r,c:22|
Show InChI InChI=1/C32H30ClF3N4O5/c1-17-4-3-5-25(40-13-11-19(15-27(40)41)28-26(45-31(35)36)9-8-22(33)29(28)34)18-10-12-37-23(14-18)21-7-6-20(38-32(43)44-2)16-24(21)39-30(17)42/h6-10,12,14-17,25,31H,3-5,11,13H2,1-2H3,(H,38,43)(H,39,42)/t17-,25+/s2
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0.0400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250635
PNG
(US9447148, 9.3)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C48H65N15O9/c1-3-4-14-33(57-27(2)64)42(67)59-35-17-18-40(65)55-25-39(47(72)60-36(41(49)66)21-29-23-54-32-15-9-8-13-31(29)32)63-43(68)34(16-10-19-53-48(50)51)58-45(70)37(20-28-11-6-5-7-12-28)61-46(71)38(62-44(35)69)22-30-24-52-26-56-30/h5-9,11-13,15,23-24,26,33-39,54H,3-4,10,14,16-22,25H2,1-2H3,(H2,49,66)(H,52,56)(H,55,65)(H,57,64)(H,58,70)(H,59,67)(H,60,72)(H,61,71)(H,62,69)(H,63,68)(H4,50,51,53)/t33-,34-,35-,36-,37+,38-,39-/s2
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0.0400 -61.7n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250671
PNG
(US9447148, 9.40 | US9447148, 9.53)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C49H72N14O9/c1-3-4-16-34(57-29(2)64)43(67)60-37-20-21-41(65)54-25-22-38(47(71)62-39(42(51)66)27-31-28-56-33-17-9-8-15-32(31)33)61-44(68)36(19-12-24-55-49(52)53)59-48(72)40(26-30-13-6-5-7-14-30)63-45(69)35(58-46(37)70)18-10-11-23-50/h5-9,13-15,17,28,34-40,56H,3-4,10-12,16,18-27,50H2,1-2H3,(H2,51,66)(H,54,65)(H,57,64)(H,58,70)(H,59,72)(H,60,67)(H,61,68)(H,62,71)(H,63,69)(H4,52,53,55)/t34-,35-,36-,37-,38-,39-,40+/s2
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0.0400 -61.7n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250671
PNG
(US9447148, 9.40 | US9447148, 9.53)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C49H72N14O9/c1-3-4-16-34(57-29(2)64)43(67)60-37-20-21-41(65)54-25-22-38(47(71)62-39(42(51)66)27-31-28-56-33-17-9-8-15-32(31)33)61-44(68)36(19-12-24-55-49(52)53)59-48(72)40(26-30-13-6-5-7-14-30)63-45(69)35(58-46(37)70)18-10-11-23-50/h5-9,13-15,17,28,34-40,56H,3-4,10-12,16,18-27,50H2,1-2H3,(H2,51,66)(H,54,65)(H,57,64)(H,58,70)(H,59,72)(H,60,67)(H,61,68)(H,62,71)(H,63,69)(H4,52,53,55)/t34-,35-,36-,37-,38-,39-,40+/s2
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0.0400 -61.7n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250654
PNG
(US9447148, 9.23)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1/C49H60N14O8/c50-43(66)38(24-31-26-56-34-15-8-7-14-33(31)34)61-46(69)37-19-21-54-41(64)18-17-36(58-42(65)23-30-12-5-2-6-13-30)45(68)63-40(25-32-27-53-28-57-32)48(71)62-39(22-29-10-3-1-4-11-29)47(70)59-35(44(67)60-37)16-9-20-55-49(51)52/h1-8,10-15,26-28,35-40,56H,9,16-25H2,(H2,50,66)(H,53,57)(H,54,64)(H,58,65)(H,59,70)(H,60,67)(H,61,69)(H,62,71)(H,63,68)(H4,51,52,55)/t35-,36-,37-,38-,39+,40-/s2
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0.0400 -61.7n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241567
PNG
(US9409908, 199)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3c(O)cc(=O)[nH]c3cc2NC1=O |r,c:9|
Show InChI InChI=1/C32H27ClF2N4O4/c1-16-3-2-4-26(39-10-8-18(12-29(39)42)30-22(34)6-5-21(33)31(30)35)25-11-17(7-9-36-25)19-13-20-24(14-23(19)38-32(16)43)37-28(41)15-27(20)40/h5-7,9,11-16,26H,2-4,8,10H2,1H3,(H,38,43)(H2,37,40,41)/t16-,26+/s2
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<0.0500n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250672
PNG
(US9447148, 9.41 | US9447148, 9.54)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C47H68N14O9/c1-3-4-14-32(55-27(2)62)41(65)57-34-17-18-39(63)52-23-20-36(45(69)60-37(40(49)64)25-29-26-54-31-15-9-8-13-30(29)31)59-42(66)33(16-10-22-53-47(50)51)56-46(70)38(24-28-11-6-5-7-12-28)61-44(68)35(19-21-48)58-43(34)67/h5-9,11-13,15,26,32-38,54H,3-4,10,14,16-25,48H2,1-2H3,(H2,49,64)(H,52,63)(H,55,62)(H,56,70)(H,57,65)(H,58,67)(H,59,66)(H,60,69)(H,61,68)(H4,50,51,53)/t32-,33-,34-,35-,36-,37-,38+/s2
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0.0500 -61.2n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241552
PNG
(US9409908, 184)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)ccc2NC1=O |r,c:9|
Show InChI InChI=1/C30H26ClF2N7O2/c1-17-3-2-4-25(24-13-18(9-11-34-24)21-15-20(32)5-7-23(21)36-30(17)42)39-12-10-19(14-27(39)41)28-26(40-16-35-37-38-40)8-6-22(31)29(28)33/h5-9,11,13-17,25H,2-4,10,12H2,1H3,(H,36,42)/t17-,25+/s2
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<0.0500n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241566
PNG
(US9409908, 198)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc(C(O)=O)c(N)cc2NC1=O |r,c:9|
Show InChI InChI=1/C30H27ClF2N4O4/c1-15-3-2-4-25(37-10-8-17(12-26(37)38)27-21(32)6-5-20(31)28(27)33)24-11-16(7-9-35-24)18-13-19(30(40)41)22(34)14-23(18)36-29(15)39/h5-7,9,11-15,25H,2-4,8,10,34H2,1H3,(H,36,39)(H,40,41)/t15-,25+/s2
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<0.0500n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250672
PNG
(US9447148, 9.41 | US9447148, 9.54)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C47H68N14O9/c1-3-4-14-32(55-27(2)62)41(65)57-34-17-18-39(63)52-23-20-36(45(69)60-37(40(49)64)25-29-26-54-31-15-9-8-13-30(29)31)59-42(66)33(16-10-22-53-47(50)51)56-46(70)38(24-28-11-6-5-7-12-28)61-44(68)35(19-21-48)58-43(34)67/h5-9,11-13,15,26,32-38,54H,3-4,10,14,16-25,48H2,1-2H3,(H2,49,64)(H,52,63)(H,55,62)(H,56,70)(H,57,65)(H,58,67)(H,59,66)(H,60,69)(H,61,68)(H4,50,51,53)/t32-,33-,34-,35-,36-,37-,38+/s2
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0.0500 -61.2n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241503
PNG
(US9409908, 135)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1c(F)ccc(Cl)c1F |r,c:32|
Show InChI InChI=1/C29H27Cl2F2N5O4/c1-14-4-3-5-21(38-11-10-15(12-22(38)39)23-19(32)9-8-18(30)24(23)33)27-36-25(26(31)37-27)17-7-6-16(34-29(41)42-2)13-20(17)35-28(14)40/h6-9,12-14,21H,3-5,10-11H2,1-2H3,(H,34,41)(H,35,40)(H,36,37)/t14-,21+/s2
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0.0500n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241436
PNG
(US9409908, 68)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O |r,c:9|
Show InChI InChI=1/C30H27ClFN7O2/c1-18-5-4-8-25(24-15-19(11-13-33-24)21-6-2-3-7-23(21)35-30(18)41)38-14-12-20(16-27(38)40)28-26(39-17-34-36-37-39)10-9-22(31)29(28)32/h2-3,6-7,9-11,13,15-18,25H,4-5,8,12,14H2,1H3,(H,35,41)/t18-,25+/s2
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0.0500n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160159
PNG
(US9040663, 5)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-46(76)38(23-27-24-60-31-8-3-2-7-28(27)31)67-42(72)34(11-6-20-59-48(55)56)63-45(75)37(22-26-12-13-29(49)30(50)21-26)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,21,24,32-38,60H,4-6,9-11,14-20,22-23,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,76)(H,63,75)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0550 -60.9n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160158
PNG
(US9040663, 4)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-45(75)38(22-27-24-60-31-8-3-2-7-29(27)31)67-42(72)34(11-6-20-59-48(55)56)63-46(76)37(21-26-12-13-28(49)23-30(26)50)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,23-24,32-38,60H,4-6,9-11,14-22,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0550 -60.9n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160174
PNG
(US9040663, 20)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C49H70F3N17O9/c1-26(70)63-33(10-5-21-60-47(55)56)41(73)66-35-16-17-39(71)59-20-4-9-32(40(54)72)64-46(78)38(24-28-25-62-31-8-3-2-7-30(28)31)69-42(74)34(11-6-22-61-48(57)58)65-45(77)37(68-44(76)36(18-19-53)67-43(35)75)23-27-12-14-29(15-13-27)49(50,51)52/h2-3,7-8,12-15,25,32-38,62H,4-6,9-11,16-24,53H2,1H3,(H2,54,72)(H,59,71)(H,63,70)(H,64,78)(H,65,77)(H,66,73)(H,67,75)(H,68,76)(H,69,74)(H4,55,56,60)(H4,57,58,61)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0600 -60.7n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241451
PNG
(US9409908, 83)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3c(C(O)=O)c(C)[nH]c3cc2NC1=O |r,c:9|
Show InChI InChI=1/C33H29ClF2N4O4/c1-16-4-3-5-27(40-11-9-19(13-28(40)41)30-23(35)7-6-22(34)31(30)36)26-12-18(8-10-37-26)20-14-21-25(15-24(20)39-32(16)42)38-17(2)29(21)33(43)44/h6-8,10,12-16,27,38H,3-5,9,11H2,1-2H3,(H,39,42)(H,43,44)/t16-,27+/s2
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0.0600n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241400
PNG
(US9409908, 32)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3OC(F)F)c3cc-2ccn3)c1 |r,c:22|
Show InChI InChI=1/C32H30ClF3N4O5/c1-17-4-3-5-25(40-13-11-19(15-27(40)41)28-26(45-31(35)36)9-8-22(33)29(28)34)24-14-18(10-12-37-24)21-7-6-20(38-32(43)44-2)16-23(21)39-30(17)42/h6-10,12,14-17,25,31H,3-5,11,13H2,1-2H3,(H,38,43)(H,39,42)/t17-,25+/s2
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0.0600n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364330
PNG
(CHEMBL1949936)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccncc3)c2c1
Show InChI InChI=1S/C19H18N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9,18,24H,1-3H3,(H,21,22,23)
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0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250674
PNG
(US9447148, 9.43)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C51H70N16O10/c1-3-4-14-35(61-29(2)68)45(72)67-41-27-59-43(70)18-17-42(69)56-21-19-37(47(74)64-38(44(52)71)23-31-25-58-34-15-9-8-13-33(31)34)63-46(73)36(16-10-20-57-51(53)54)62-48(75)39(22-30-11-6-5-7-12-30)65-49(76)40(66-50(41)77)24-32-26-55-28-60-32/h5-9,11-13,15,25-26,28,35-41,58H,3-4,10,14,16-24,27H2,1-2H3,(H2,52,71)(H,55,60)(H,56,69)(H,59,70)(H,61,68)(H,62,75)(H,63,73)(H,64,74)(H,65,76)(H,66,77)(H,67,72)(H4,53,54,57)/t35-,36-,37-,38-,39+,40-,41-/s2
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0.0650 -60.5n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241583
PNG
(US9409908, 215)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)c(F)cc2NC1=O |r,c:9|
Show InChI InChI=1/C30H25ClF3N7O2/c1-16-3-2-4-25(24-11-17(7-9-35-24)19-13-21(32)22(33)14-23(19)37-30(16)43)40-10-8-18(12-27(40)42)28-26(41-15-36-38-39-41)6-5-20(31)29(28)34/h5-7,9,11-16,25H,2-4,8,10H2,1H3,(H,37,43)/t16-,25+/s2
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0.0700n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250638
PNG
(US9447148, 9.6)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-15-35(59-29(2)66)44(69)62-38-19-20-42(67)55-21-10-17-37(46(71)63-39(43(51)68)24-31-26-57-34-16-9-8-14-33(31)34)60-45(70)36(18-11-22-56-50(52)53)61-48(73)40(23-30-12-6-5-7-13-30)64-49(74)41(65-47(38)72)25-32-27-54-28-58-32/h5-9,12-14,16,26-28,35-41,57H,3-4,10-11,15,17-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,70)(H,61,73)(H,62,69)(H,63,71)(H,64,74)(H,65,72)(H4,52,53,56)/t35-,36-,37-,38-,39-,40+,41-/s2
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0.0700 -60.3n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364327
PNG
(CHEMBL1949939)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccnc(F)c3)c2c1
Show InChI InChI=1S/C19H17FN4O2/c1-9-6-12(26-3)8-13-16(18(25)11-4-5-21-14(20)7-11)15-10(2)23-24-19(15)22-17(9)13/h4-8,18,25H,1-3H3,(H,22,23,24)
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0.0700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160157
PNG
(US9040663, 3)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C48H70ClN17O9/c1-26(67)60-33(10-5-21-57-47(52)53)41(70)63-35-16-17-39(68)56-20-4-9-32(40(51)69)61-46(75)38(24-28-25-59-31-8-3-2-7-30(28)31)66-42(71)34(11-6-22-58-48(54)55)62-45(74)37(23-27-12-14-29(49)15-13-27)65-44(73)36(18-19-50)64-43(35)72/h2-3,7-8,12-15,25,32-38,59H,4-6,9-11,16-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0800 -59.9n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241422
PNG
(US9409908, 54)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(NC(=O)OCCO)cc2NC1=O |r,c:9|
Show InChI InChI=1/C32H31ClF2N4O5/c1-18-3-2-4-27(39-12-10-20(16-28(39)41)29-24(34)8-7-23(33)30(29)35)26-15-19(9-11-36-26)22-6-5-21(17-25(22)38-31(18)42)37-32(43)44-14-13-40/h5-9,11,15-18,27,40H,2-4,10,12-14H2,1H3,(H,37,43)(H,38,42)/t18-,27+/s2
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0.0800n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241421
PNG
(US9409908, 53)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(NC(=O)OCCOC(C)(C)C)cc2NC1=O |r,c:9|
Show InChI InChI=1/C36H39ClF2N4O5/c1-21-6-5-7-30(43-15-13-23(19-31(43)44)32-27(38)11-10-26(37)33(32)39)29-18-22(12-14-40-29)25-9-8-24(20-28(25)42-34(21)45)41-35(46)47-16-17-48-36(2,3)4/h8-12,14,18-21,30H,5-7,13,15-17H2,1-4H3,(H,41,46)(H,42,45)/t21-,30+/s2
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0.0800n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160175
PNG
(US9040663, 21)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(C)cc2C)NC(=O)[C@H](CCN)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H75N17O9/c1-27-14-15-30(28(2)23-27)24-39-48(76)63-36(13-8-22-59-50(55)56)44(72)67-40(25-31-26-60-33-10-5-4-9-32(31)33)47(75)62-34(42(52)70)11-6-20-57-41(69)17-16-37(45(73)65-38(18-19-51)46(74)66-39)64-43(71)35(61-29(3)68)12-7-21-58-49(53)54/h4-5,9-10,14-15,23,26,34-40,60H,6-8,11-13,16-22,24-25,51H2,1-3H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t34-,35-,36-,37-,38-,39+,40-/s2
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0.0850 -59.8n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241468
PNG
(US9409908, 100)
Show SMILES CC(C)[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O |r,c:11|
Show InChI InChI=1/C32H31ClFN7O2/c1-19(2)22-7-5-9-27(26-16-20(12-14-35-26)23-6-3-4-8-25(23)37-32(22)43)40-15-13-21(17-29(40)42)30-28(41-18-36-38-39-41)11-10-24(33)31(30)34/h3-4,6,8,10-12,14,16-19,22,27H,5,7,9,13,15H2,1-2H3,(H,37,43)/t22-,27-/s2
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0.0900n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241472
PNG
(US9409908, 104)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(C)ccc3C#N)c3cc-2ccn3)c1 |r,c:22|
Show InChI InChI=1/C33H32FN5O4/c1-19-7-8-23(18-35)30(31(19)34)22-12-14-39(29(40)16-22)28-6-4-5-20(2)32(41)38-26-17-24(37-33(42)43-3)9-10-25(26)21-11-13-36-27(28)15-21/h7-11,13,15-17,20,28H,4-6,12,14H2,1-3H3,(H,37,42)(H,38,41)/t20-,28+/s2
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0.0900n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241394
PNG
(US9409908, 26)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cc-2cc(OC)n3)c1 |r,c:22|
Show InChI InChI=1/C33H31ClFN5O5/c1-18-5-4-6-27(40-12-11-19(15-29(40)41)30-20(17-36)7-10-24(34)31(30)35)26-13-21(14-28(38-26)44-2)23-9-8-22(37-33(43)45-3)16-25(23)39-32(18)42/h7-10,13-16,18,27H,4-6,11-12H2,1-3H3,(H,37,43)(H,39,42)/t18-,27+/s2
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0.0900n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM241404
PNG
(US9409908, 36)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3C(F)(F)F)c3cc-2ccn3)c1 |r,c:22|
Show InChI InChI=1/C32H30ClF3N4O4/c1-18-4-3-5-28(40-13-11-20(15-29(40)41)24-16-21(33)6-9-25(24)32(34,35)36)27-14-19(10-12-37-27)23-8-7-22(38-31(43)44-2)17-26(23)39-30(18)42/h6-10,12,14-18,28H,3-5,11,13H2,1-2H3,(H,38,43)(H,39,42)/t18-,28+/s2
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0.0900n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM250643
PNG
(US9447148, 9.11)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C51H68N14O9/c1-3-4-15-36(59-30(2)66)45(69)61-38-19-20-43(67)56-23-21-39(48(72)63-40(44(52)68)26-32-17-18-33-13-8-9-14-34(33)24-32)62-46(70)37(16-10-22-57-51(53)54)60-49(73)41(25-31-11-6-5-7-12-31)64-50(74)42(65-47(38)71)27-35-28-55-29-58-35/h5-9,11-14,17-18,24,28-29,36-42H,3-4,10,15-16,19-23,25-27H2,1-2H3,(H2,52,68)(H,55,58)(H,56,67)(H,59,66)(H,60,73)(H,61,69)(H,62,70)(H,63,72)(H,64,74)(H,65,71)(H4,53,54,57)/t36-,37-,38-,39-,40+,41+,42-/s2
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0.0950 -59.5n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
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