BDBM51862 MLS000562590::SE-IW::SMR000391109::cid_16196536

SMILES: Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)CO

InChI Key: InChIKey=HJGGRJVEPFJLPE-BHSOVZBTSA-N

Data: 2 EC50

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 2 hits for monomerid = 51862   

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 kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51862 (MLS000562590 | SE-IW | SMR000391109 | cid_16196536) Show SMILES Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)CO Show InChI InChI=1S/C47H67N17O8.ClH/c1-4-21-70-23-25-72-26-24-71-22-12-50-45-52-46(61-17-13-59(14-18-61)43(68)39(10-11-41(66)67)63-29-37(55-57-63)35(48)31-65)54-47(53-45)62-19-15-60(16-20-62)44(69)40(28-34-27-33-8-6-7-9-36(33)51-34)64-30-38(56-58-64)42(49)32(3)5-2;/h1,6-9,27,29-30,32,35,39-40,42,51,65H,5,10-26,28,31,48-49H2,2-3H3,(H,66,67)(H,50,52,53,54);1H/t32-,35?,39+,40+,42?;/m1./s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21Z42TP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51862 (MLS000562590 | SE-IW | SMR000391109 | cid_16196536) Show SMILES Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)CO Show InChI InChI=1S/C47H67N17O8.ClH/c1-4-21-70-23-25-72-26-24-71-22-12-50-45-52-46(61-17-13-59(14-18-61)43(68)39(10-11-41(66)67)63-29-37(55-57-63)35(48)31-65)54-47(53-45)62-19-15-60(16-20-62)44(69)40(28-34-27-33-8-6-7-9-36(33)51-34)64-30-38(56-58-64)42(49)32(3)5-2;/h1,6-9,27,29-30,32,35,39-40,42,51,65H,5,10-26,28,31,48-49H2,2-3H3,(H,66,67)(H,50,52,53,54);1H/t32-,35?,39+,40+,42?;/m1./s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25Q4THK
					More data for this Ligand-Target Pair