BDBM103302 SCH772984::US8546404, 6

SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1

InChI Key InChIKey=HDAJDNHIBCDLQF-RUZDIDTESA-N

Data  17 IC50  4 Kd  4 ITC

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 103302   

TargetMitogen-activated protein kinase 1(Mus musculus (Mouse))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 0.800nMAssay Description:Activated ERK2 activity was determined in the IMAP assay format.More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataKd:  300nMpH: 7.5 T: 2°CAssay Description:For ERK1 and ERK2, the buffer contained 20 mM HEPES (pH 7.5), 150 mM NaCl and 0.5 mM TCEP. For haspin, the buffer contained 20 mM HEPES (pH 7.5), 250...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 2.70nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 10(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 632nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 8 [1-363](Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 1.08E+3nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase 17A(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 114nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 9(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 783nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetDual specificity mitogen-activated protein kinase kinase 3(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 304nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetAurora kinase C(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 580nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetCasein kinase II subunit alpha'(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 104nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 508nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase haspin [465-798](Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 398nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 193nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetMisshapen-like kinase 1(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 942nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase kinase 4(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 503nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase D1(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 535nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataKd:  213nMpH: 7.5 T: 2°CAssay Description:For ERK1 and ERK2, the buffer contained 20 mM HEPES (pH 7.5), 150 mM NaCl and 0.5 mM TCEP. For haspin, the buffer contained 20 mM HEPES (pH 7.5), 250...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataKd:  233nMpH: 7.5 T: 2°CAssay Description:For ERK1 and ERK2, the buffer contained 20 mM HEPES (pH 7.5), 150 mM NaCl and 0.5 mM TCEP. For haspin, the buffer contained 20 mM HEPES (pH 7.5), 250...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase haspin [465-798](Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataKd:  297nMpH: 7.5 T: 2°CAssay Description:For ERK1 and ERK2, the buffer contained 20 mM HEPES (pH 7.5), 150 mM NaCl and 0.5 mM TCEP. For haspin, the buffer contained 20 mM HEPES (pH 7.5), 250...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
George Washington University

LigandPNGBDBM103302(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
Affinity DataIC50: 8.30nMAssay Description:The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 103302   

CellMAP kinase ERK1(Homo sapiens (Human))
George Washington University

SyringePNGBDBM103302(SCH772984 | US8546404, 6)
ITC DataΔG°: -8.78kcal/mole −TΔS°: 11.8kcal/mole ΔH°: -20.6kcal/mole logk: 4.59E+6
pH: 7.5 T: 15.00°C 
CellMAP kinase ERK2(Homo sapiens (Human))
George Washington University

SyringePNGBDBM103302(SCH772984 | US8546404, 6)
ITC DataΔG°: -8.70kcal/mole −TΔS°: 12.4kcal/mole ΔH°: -21.1kcal/mole logk: 4.02E+6
pH: 7.5 T: 15.00°C 
CellHaspin (465-798)(Homo sapiens (Human))
George Washington University

SyringePNGBDBM103302(SCH772984 | US8546404, 6)
ITC DataΔG°: -8.66kcal/mole −TΔS°: 8.95kcal/mole ΔH°: -17.6kcal/mole logk: 3.71E+6
pH: 7.5 T: 15.00°C 
CellMAP kinase ERK2(Homo sapiens (Human))
George Washington University

SyringePNGBDBM103302(SCH772984 | US8546404, 6)
ITC DataΔG°: -9.08kcal/mole −TΔS°: 21.5kcal/mole ΔH°: -30.6kcal/mole logk: 3.57E+6
pH: 7.5 T: 30.00°C