BDBM120098 US8697715, 57::US9259470, 57

SMILES: OC[C@H](c1cccc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1

InChI Key: InChIKey=GBUFGAHGZPUUTQ-HXUWFJFHSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 120098   

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 (Homo sapiens (Human))	BDBM120098 (US8697715, 57 | US9259470, 57) Show SMILES OC[C@H](c1cccc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H23ClN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay				J Med Chem 58: 1976-91 (2015) Article DOI: 10.1021/jm501921k BindingDB Entry DOI: 10.7270/Q2TM7CT7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM120098 (US8697715, 57 | US9259470, 57) Show SMILES OC[C@H](c1cccc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H23ClN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35.7	n/a	n/a	n/a	n/a	7.3	n/a
Array BioPharma, Inc.; Genentech, Inc. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US8697715 (2014) BindingDB Entry DOI: 10.7270/Q2NV9GXF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM120098 (US8697715, 57 | US9259470, 57) Show SMILES OC[C@H](c1cccc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H23ClN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35.7	n/a	n/a	n/a	n/a	7.3	n/a
Array BioPharma Inc.; Genentech, Inc. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9259470 (2016) BindingDB Entry DOI: 10.7270/Q28S4NSQ
					More data for this Ligand-Target Pair