BDBM120101 US8697715, 65::US9259470, 65

SMILES: COC[C@@H](CO)Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1

InChI Key: InChIKey=RTMAZSIJEAZCLA-DNVCBOLYSA-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 = 120101   

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))	BDBM120101 (US8697715, 65 | US9259470, 65) Show SMILES COC[C@@H](CO)Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H22ClFN4O4/c1-31-12-15(10-28)25-21-24-6-4-18(26-21)13-5-7-27(20(30)9-13)19(11-29)14-2-3-16(22)17(23)8-14/h2-9,15,19,28-29H,10-12H2,1H3,(H,24,25,26)/t15-,19-/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	3	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))	BDBM120101 (US8697715, 65 | US9259470, 65) Show SMILES COC[C@@H](CO)Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H22ClFN4O4/c1-31-12-15(10-28)25-21-24-6-4-18(26-21)13-5-7-27(20(30)9-13)19(11-29)14-2-3-16(22)17(23)8-14/h2-9,15,19,28-29H,10-12H2,1H3,(H,24,25,26)/t15-,19-/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	6.30	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))	BDBM120101 (US8697715, 65 | US9259470, 65) Show SMILES COC[C@@H](CO)Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H22ClFN4O4/c1-31-12-15(10-28)25-21-24-6-4-18(26-21)13-5-7-27(20(30)9-13)19(11-29)14-2-3-16(22)17(23)8-14/h2-9,15,19,28-29H,10-12H2,1H3,(H,24,25,26)/t15-,19-/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	6.30	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