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 or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 103302   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description Activated ERK2 activity was determined in the IMAP assay format.				US Patent US8546404 (2013) BindingDB Entry DOI: 10.7270/Q2959G61
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	7.5	30
George Washington University					Assay 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...				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	632	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
c-Jun N-terminal kinase 1 truncation (JNK1) (aa 1-363) (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17A (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	783	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Casein kinase II alpha' (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Dual specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	508	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Haspin (aa 465-798) (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Misshapen-like kinase 1 (MINK) (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	942	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	503	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	535	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	213	n/a	n/a	n/a	7.5	15
George Washington University					Assay 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...				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	233	n/a	n/a	n/a	7.5	15
George Washington University					Assay 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...				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Haspin (aa 465-798) (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	297	n/a	n/a	n/a	7.5	15
George Washington University					Assay 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...				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6) Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University					Assay Description The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.				Nat Chem Biol 10: 853-860 (2014) Article DOI: 10.1038/nchembio.1629 BindingDB Entry DOI: 10.7270/Q28G8JCH
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 103302

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
MAP kinase ERK1 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6)	GoogleScholar PDB	PC cid PC sid		-8.78	11.8	-20.6	6.66	7.5	15
George Washington University					Nat Chem Biol 10: 853-860 (2014)
MAP kinase ERK2 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-8.70	12.4	-21.1	6.60	7.5	15
George Washington University					Nat Chem Biol 10: 853-860 (2014)
Haspin (465-798) (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6)	GoogleScholar PDB	PC cid PC sid		-8.66	8.95	-17.6	6.57	7.5	15
George Washington University					Nat Chem Biol 10: 853-860 (2014)
MAP kinase ERK2 (Homo sapiens (Human))	BDBM103302 (SCH772984 | US8546404, 6)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-9.08	21.5	-30.6	6.55	7.5	30
George Washington University					Nat Chem Biol 10: 853-860 (2014)