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Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'douglas' and Initial = 'n'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50126395
PNG
(Ac-Ser-Tyr-Ser-Nle-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- agouti related protein (AGRP) as radioligand

Bioorg Med Chem Lett 13: 1409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50126395
PNG
(Ac-Ser-Tyr-Ser-Nle-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hMC3R (human melanocortin receptor) using I-AGRP as radioligand

Bioorg Med Chem Lett 13: 1409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309123
PNG
(4-(6-(piperazin-1-yl)-5-(pyrrolidin-1-yl)pyrazin-2...)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCNCC1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C19H23N7/c1-2-10-25(9-1)18-19(26-11-7-20-8-12-26)24-16(13-23-18)14-3-5-21-17-15(14)4-6-22-17/h3-6,13,20H,1-2,7-12H2,(H,21,22)
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n/an/a 17n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50126395
PNG
(Ac-Ser-Tyr-Ser-Nle-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- NDP-MSH as radioligand

Bioorg Med Chem Lett 13: 1409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309122
PNG
(4-(6-(1,4-diazepan-1-yl)-5-(pyrrolidin-1-yl)pyrazi...)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C20H25N7/c1-2-11-26(10-1)19-20(27-12-3-6-21-9-13-27)25-17(14-24-19)15-4-7-22-18-16(15)5-8-23-18/h4-5,7-8,14,21H,1-3,6,9-13H2,(H,22,23)
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n/an/a 21n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309120
PNG
((1-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-...)
Show SMILES NCC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6/c20-13-15-5-11-25(12-6-15)19-18(24-9-1-2-10-24)22-14-17(23-19)16-3-7-21-8-4-16/h3-4,7-8,14-15H,1-2,5-6,9-13,20H2
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n/an/a 28n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309123
PNG
(4-(6-(piperazin-1-yl)-5-(pyrrolidin-1-yl)pyrazin-2...)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCNCC1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C19H23N7/c1-2-10-25(9-1)18-19(26-11-7-20-8-12-26)24-16(13-23-18)14-3-5-21-17-15(14)4-6-22-17/h3-6,13,20H,1-2,7-12H2,(H,21,22)
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n/an/a 34n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309116
PNG
(1-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-y...)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccncc1
Show InChI InChI=1S/C18H24N6/c1-2-11-23(10-1)17-18(24-12-3-6-19-9-13-24)22-16(14-21-17)15-4-7-20-8-5-15/h4-5,7-8,14,19H,1-3,6,9-13H2
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n/an/a 39n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309121
PNG
(CHEMBL602041 | N-methyl-1-(1-(6-(pyridin-4-yl)-3-(...)
Show SMILES CNCC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C20H28N6/c1-21-14-16-6-12-26(13-7-16)20-19(25-10-2-3-11-25)23-15-18(24-20)17-4-8-22-9-5-17/h4-5,8-9,15-16,21H,2-3,6-7,10-14H2,1H3
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n/an/a 49n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309118
PNG
(1-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-y...)
Show SMILES NC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C18H24N6/c19-15-5-11-24(12-6-15)18-17(23-9-1-2-10-23)21-13-16(22-18)14-3-7-20-8-4-14/h3-4,7-8,13,15H,1-2,5-6,9-12,19H2
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n/an/a 62n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309117
PNG
(3-(piperazin-1-yl)-5-(pyridin-4-yl)-2-(pyrrolidin-...)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCNCC1)-c1ccncc1
Show InChI InChI=1S/C17H22N6/c1-2-10-22(9-1)16-17(23-11-7-19-8-12-23)21-15(13-20-16)14-3-5-18-6-4-14/h3-6,13,19H,1-2,7-12H2
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n/an/a 62n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309126
PNG
(2-(4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-...)
Show SMILES OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
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n/an/a 78n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309124
PNG
(1-(3-(pyrrolidin-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin...)
Show SMILES NC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C20H25N7/c21-14-5-11-27(12-6-14)20-19(26-9-1-2-10-26)24-13-17(25-20)15-3-7-22-18-16(15)4-8-23-18/h3-4,7-8,13-14H,1-2,5-6,9-12,21H2,(H,22,23)
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n/an/a 89n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309120
PNG
((1-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-...)
Show SMILES NCC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6/c20-13-15-5-11-25(12-6-15)19-18(24-9-1-2-10-24)22-14-17(23-19)16-3-7-21-8-4-16/h3-4,7-8,14-15H,1-2,5-6,9-13,20H2
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n/an/a 130n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309121
PNG
(CHEMBL602041 | N-methyl-1-(1-(6-(pyridin-4-yl)-3-(...)
Show SMILES CNCC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C20H28N6/c1-21-14-16-6-12-26(13-7-16)20-19(25-10-2-3-11-25)23-15-18(24-20)17-4-8-22-9-5-17/h4-5,8-9,15-16,21H,2-3,6-7,10-14H2,1H3
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n/an/a 150n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309122
PNG
(4-(6-(1,4-diazepan-1-yl)-5-(pyrrolidin-1-yl)pyrazi...)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C20H25N7/c1-2-11-26(10-1)19-20(27-12-3-6-21-9-13-27)25-17(14-24-19)15-4-7-22-18-16(15)5-8-23-18/h4-5,7-8,14,21H,1-3,6,9-13H2,(H,22,23)
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n/an/a 170n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309119
PNG
(CHEMBL591047 | N-methyl-1-(6-(pyridin-4-yl)-3-(pyr...)
Show SMILES CNC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6/c1-20-16-6-12-25(13-7-16)19-18(24-10-2-3-11-24)22-14-17(23-19)15-4-8-21-9-5-15/h4-5,8-9,14,16,20H,2-3,6-7,10-13H2,1H3
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n/an/a 250n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309118
PNG
(1-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-y...)
Show SMILES NC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C18H24N6/c19-15-5-11-24(12-6-15)18-17(23-9-1-2-10-23)21-13-16(22-18)14-3-7-20-8-4-14/h3-4,7-8,13,15H,1-2,5-6,9-12,19H2
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n/an/a 290n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309126
PNG
(2-(4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-...)
Show SMILES OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
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n/an/a 300n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309125
PNG
(2-(4-(3-(dimethylamino)-6-(pyridin-4-yl)pyrazin-2-...)
Show SMILES CN(C)c1ncc(nc1N1CCN(CCO)CC1)-c1ccncc1
Show InChI InChI=1S/C17H24N6O/c1-21(2)16-17(23-9-7-22(8-10-23)11-12-24)20-15(13-19-16)14-3-5-18-6-4-14/h3-6,13,24H,7-12H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309124
PNG
(1-(3-(pyrrolidin-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin...)
Show SMILES NC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C20H25N7/c21-14-5-11-27(12-6-14)20-19(26-9-1-2-10-26)24-13-17(25-20)15-3-7-22-18-16(15)4-8-23-18/h3-4,7-8,13-14H,1-2,5-6,9-12,21H2,(H,22,23)
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n/an/a 300n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309116
PNG
(1-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-y...)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccncc1
Show InChI InChI=1S/C18H24N6/c1-2-11-23(10-1)17-18(24-12-3-6-19-9-13-24)22-16(14-21-17)15-4-7-20-8-5-15/h4-5,7-8,14,19H,1-3,6,9-13H2
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n/an/a 320n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309113
PNG
(1-methyl-4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)py...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6/c1-23-9-4-12-25(14-13-23)19-18(24-10-2-3-11-24)21-15-17(22-19)16-5-7-20-8-6-16/h5-8,15H,2-4,9-14H2,1H3
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n/an/a 330n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309103
PNG
(3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrrolo[2,3-b...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C17H21N7/c1-23-7-2-8-24(10-9-23)17-15(18)21-11-14(22-17)12-3-5-19-16-13(12)4-6-20-16/h3-6,11H,2,7-10H2,1H3,(H2,18,21)(H,19,20)
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n/an/a 530n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309114
PNG
(1-methyl-4-(3-(piperidin-1-yl)-6-(pyridin-4-yl)pyr...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N1CCCCC1)-c1ccncc1
Show InChI InChI=1S/C20H28N6/c1-24-10-5-13-26(15-14-24)20-19(25-11-3-2-4-12-25)22-16-18(23-20)17-6-8-21-9-7-17/h6-9,16H,2-5,10-15H2,1H3
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n/an/a 560n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309117
PNG
(3-(piperazin-1-yl)-5-(pyridin-4-yl)-2-(pyrrolidin-...)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCNCC1)-c1ccncc1
Show InChI InChI=1S/C17H22N6/c1-2-10-22(9-1)16-17(23-11-7-19-8-12-23)21-15(13-20-16)14-3-5-18-6-4-14/h3-6,13,19H,1-2,7-12H2
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n/an/a 610n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309105
PNG
(5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H21N7/c1-23-5-2-6-24(8-7-23)17-16(18)19-11-15(21-17)12-3-4-14-13(9-12)10-20-22-14/h3-4,9-11H,2,5-8H2,1H3,(H2,18,19)(H,20,22)
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n/an/a 950n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309125
PNG
(2-(4-(3-(dimethylamino)-6-(pyridin-4-yl)pyrazin-2-...)
Show SMILES CN(C)c1ncc(nc1N1CCN(CCO)CC1)-c1ccncc1
Show InChI InChI=1S/C17H24N6O/c1-21(2)16-17(23-9-7-22(8-10-23)11-12-24)20-15(13-19-16)14-3-5-18-6-4-14/h3-6,13,24H,7-12H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309103
PNG
(3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrrolo[2,3-b...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C17H21N7/c1-23-7-2-8-24(10-9-23)17-15(18)21-11-14(22-17)12-3-5-19-16-13(12)4-6-20-16/h3-6,11H,2,7-10H2,1H3,(H2,18,21)(H,19,20)
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n/an/a 1.50E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309108
PNG
(CHEMBL601834 | N,N-dimethyl-3-(4-methyl-1,4-diazep...)
Show SMILES CN(C)c1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
Show InChI InChI=1S/C17H24N6/c1-21(2)16-17(23-10-4-9-22(3)11-12-23)20-15(13-19-16)14-5-7-18-8-6-14/h5-8,13H,4,9-12H2,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309119
PNG
(CHEMBL591047 | N-methyl-1-(6-(pyridin-4-yl)-3-(pyr...)
Show SMILES CNC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6/c1-20-16-6-12-25(13-7-16)19-18(24-10-2-3-11-24)22-14-17(23-19)15-4-8-21-9-5-15/h4-5,8-9,14,16,20H,2-3,6-7,10-13H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- ([Nle4]alpha-MSH) as radioligand

Bioorg Med Chem Lett 13: 1409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- agouti related protein (AGRP) as radioligand

Bioorg Med Chem Lett 13: 1409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hMC4R (human melanocortin receptor) using I-AGRP as radioligand

Bioorg Med Chem Lett 13: 1409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309105
PNG
(5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H21N7/c1-23-5-2-6-24(8-7-23)17-16(18)19-11-15(21-17)12-3-4-14-13(9-12)10-20-22-14/h3-4,9-11H,2,5-8H2,1H3,(H2,18,19)(H,20,22)
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n/an/a 2.30E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309107
PNG
(CHEMBL589578 | N-methyl-3-(4-methyl-1,4-diazepan-1...)
Show SMILES CNc1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
Show InChI InChI=1S/C16H22N6/c1-17-15-16(22-9-3-8-21(2)10-11-22)20-14(12-19-15)13-4-6-18-7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,17,19)
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n/an/a 2.40E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309097
PNG
(2-(4-(3-amino-6-(pyridin-4-yl)pyrazin-2-yl)piperaz...)
Show SMILES Nc1ncc(nc1N1CCN(CCO)CC1)-c1ccncc1
Show InChI InChI=1S/C15H20N6O/c16-14-15(21-7-5-20(6-8-21)9-10-22)19-13(11-18-14)12-1-3-17-4-2-12/h1-4,11,22H,5-10H2,(H2,16,18)
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n/an/a 2.50E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309104
PNG
(5-(1H-indazol-4-yl)-3-(4-methyl-1,4-diazepan-1-yl)...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C17H21N7/c1-23-6-3-7-24(9-8-23)17-16(18)19-11-15(21-17)12-4-2-5-14-13(12)10-20-22-14/h2,4-5,10-11H,3,6-9H2,1H3,(H2,18,19)(H,20,22)
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n/an/a 2.50E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309098
PNG
(3-(4-methyl-1,4-diazepan-1-yl)-5-(pyridin-4-yl)pyr...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1ccncc1
Show InChI InChI=1S/C15H20N6/c1-20-7-2-8-21(10-9-20)15-14(16)18-11-13(19-15)12-3-5-17-6-4-12/h3-6,11H,2,7-10H2,1H3,(H2,16,18)
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n/an/a 2.50E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309109
PNG
(CHEMBL589336 | N,N-diethyl-3-(4-methyl-1,4-diazepa...)
Show SMILES CCN(CC)c1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
Show InChI InChI=1S/C19H28N6/c1-4-24(5-2)18-19(25-12-6-11-23(3)13-14-25)22-17(15-21-18)16-7-9-20-10-8-16/h7-10,15H,4-6,11-14H2,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309102
PNG
(3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-3-yl)...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1cc[nH]n1
Show InChI InChI=1S/C13H19N7/c1-19-5-2-6-20(8-7-19)13-12(14)15-9-11(17-13)10-3-4-16-18-10/h3-4,9H,2,5-8H2,1H3,(H2,14,15)(H,16,18)
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n/an/a 2.90E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309110
PNG
(2-(3-(4-methyl-1,4-diazepan-1-yl)-5-(pyridin-4-yl)...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1NCCO)-c1ccncc1
Show InChI InChI=1S/C17H24N6O/c1-22-8-2-9-23(11-10-22)17-16(19-7-12-24)20-13-15(21-17)14-3-5-18-6-4-14/h3-6,13,24H,2,7-12H2,1H3,(H,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- ([Nle4]alpha-MSH) as radioligand

Bioorg Med Chem Lett 13: 1409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- ([Nle4]alpha-MSH) as radioligand

Bioorg Med Chem Lett 13: 1409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309097
PNG
(2-(4-(3-amino-6-(pyridin-4-yl)pyrazin-2-yl)piperaz...)
Show SMILES Nc1ncc(nc1N1CCN(CCO)CC1)-c1ccncc1
Show InChI InChI=1S/C15H20N6O/c16-14-15(21-7-5-20(6-8-21)9-10-22)19-13(11-18-14)12-1-3-17-4-2-12/h1-4,11,22H,5-10H2,(H2,16,18)
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n/an/a 4.60E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309098
PNG
(3-(4-methyl-1,4-diazepan-1-yl)-5-(pyridin-4-yl)pyr...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1ccncc1
Show InChI InChI=1S/C15H20N6/c1-20-7-2-8-21(10-9-20)15-14(16)18-11-13(19-15)12-3-5-17-6-4-12/h3-6,11H,2,7-10H2,1H3,(H2,16,18)
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n/an/a 4.60E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309113
PNG
(1-methyl-4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)py...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6/c1-23-9-4-12-25(14-13-23)19-18(24-10-2-3-11-24)21-15-17(22-19)16-5-7-20-8-6-16/h5-8,15H,2-4,9-14H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309115
PNG
(4-(3-(4-methyl-1,4-diazepan-1-yl)-5-(pyridin-4-yl)...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N1CCOCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6O/c1-23-7-2-8-24(10-9-23)19-18(25-11-13-26-14-12-25)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15H,2,7-14H2,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50309108
PNG
(CHEMBL601834 | N,N-dimethyl-3-(4-methyl-1,4-diazep...)
Show SMILES CN(C)c1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
Show InChI InChI=1S/C17H24N6/c1-21(2)16-17(23-10-4-9-22(3)11-12-23)20-15(13-19-16)14-5-7-18-8-6-14/h5-8,13H,4,9-12H2,1-3H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50309109
PNG
(CHEMBL589336 | N,N-diethyl-3-(4-methyl-1,4-diazepa...)
Show SMILES CCN(CC)c1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
Show InChI InChI=1S/C19H28N6/c1-4-24(5-2)18-19(25-12-6-11-23(3)13-14-25)22-17(15-21-18)16-7-9-20-10-8-16/h7-10,15H,4-6,11-14H2,1-3H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK2

Bioorg Med Chem Lett 20: 1137-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.012
BindingDB Entry DOI: 10.7270/Q2QR4X7J
More data for this
Ligand-Target Pair
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