BDBM50337141 11-cyclopentyl-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one::CHEMBL1673053

SMILES: COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)N1CCN(C)CC1

InChI Key: InChIKey=NFNBVXVXMQZSGB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50337141   

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
Extracellular signal-regulated kinase 5 (ERK5) (Homo sapiens (Human))	BDBM50337141 (11-cyclopentyl-2-((2-methoxy-4-(4-methylpiperazin-...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H35N7O2/c1-33-14-16-35(17-15-33)21-12-13-23(26(18-21)38-3)31-29-30-19-25-27(32-29)36(20-8-4-5-9-20)24-11-7-6-10-22(24)28(37)34(25)2/h6-7,10-13,18-20H,4-5,8-9,14-17H2,1-3H3,(H,30,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis				ACS Med Chem Lett 2: 195-200 (2011) Article DOI: 10.1021/ml100304b BindingDB Entry DOI: 10.7270/Q2222VSB
					More data for this Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5) (Homo sapiens (Human))	BDBM50337141 (11-cyclopentyl-2-((2-methoxy-4-(4-methylpiperazin-...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H35N7O2/c1-33-14-16-35(17-15-33)21-12-13-23(26(18-21)38-3)31-29-30-19-25-27(32-29)36(20-8-4-5-9-20)24-11-7-6-10-22(24)28(37)34(25)2/h6-7,10-13,18-20H,4-5,8-9,14-17H2,1-3H3,(H,30,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ERK5 in human HeLa cells assessed as reduction in EGF-induced ERK5 autophosphorylation pretreated for 1 hr followed by EGF stimulation ...				J Med Chem 63: 7817-7826 (2020)
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50337141 (11-cyclopentyl-2-((2-methoxy-4-(4-methylpiperazin-...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H35N7O2/c1-33-14-16-35(17-15-33)21-12-13-23(26(18-21)38-3)31-29-30-19-25-27(32-29)36(20-8-4-5-9-20)24-11-7-6-10-22(24)28(37)34(25)2/h6-7,10-13,18-20H,4-5,8-9,14-17H2,1-3H3,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	421	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50337141 (11-cyclopentyl-2-((2-methoxy-4-(4-methylpiperazin-...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H35N7O2/c1-33-14-16-35(17-15-33)21-12-13-23(26(18-21)38-3)31-29-30-19-25-27(32-29)36(20-8-4-5-9-20)24-11-7-6-10-22(24)28(37)34(25)2/h6-7,10-13,18-20H,4-5,8-9,14-17H2,1-3H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020)
					More data for this Ligand-Target Pair