BDBM272552 US10065967, Example 18::US10759805, Ex 18::US9745307, Example 18

SMILES: COc1ccccc1CN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1

InChI Key: InChIKey=BWEQSSGPIZBVRE-UHFFFAOYSA-N

Data: 3 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 = 272552   

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))	BDBM272552 (US10065967, Example 18 | US10759805, Ex 18 | US974...) Show SMILES COc1ccccc1CN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1 Show InChI InChI=1S/C23H21N5O2/c1-14-9-15(7-8-24-14)22-18-10-17-13-28(12-16-5-3-4-6-21(16)30-2)23(29)25-19(17)11-20(18)26-27-22/h3-11H,12-13H2,1-2H3,(H,25,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Corp. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US10065967 (2018) BindingDB Entry DOI: 10.7270/Q2CF9S47
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM272552 (US10065967, Example 18 | US10759805, Ex 18 | US974...) Show SMILES COc1ccccc1CN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1 Show InChI InChI=1S/C23H21N5O2/c1-14-9-15(7-8-24-14)22-18-10-17-13-28(12-16-5-3-4-6-21(16)30-2)23(29)25-19(17)11-20(18)26-27-22/h3-11H,12-13H2,1-2H3,(H,25,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Human: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound w...				US Patent US10759805 (2020)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM272552 (US10065967, Example 18 | US10759805, Ex 18 | US974...) Show SMILES COc1ccccc1CN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1 Show InChI InChI=1S/C23H21N5O2/c1-14-9-15(7-8-24-14)22-18-10-17-13-28(12-16-5-3-4-6-21(16)30-2)23(29)25-19(17)11-20(18)26-27-22/h3-11H,12-13H2,1-2H3,(H,25,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Corp. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9745307 (2017) BindingDB Entry DOI: 10.7270/Q28G8NTK
					More data for this Ligand-Target Pair