BDBM51868 MLS000562841::SMR000391160::YI-IW::cid_16196582

SMILES: Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=KECDDVSJLCSWKM-UTUWELLDSA-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 = 51868   

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))	BDBM51868 (MLS000562841 | SMR000391160 | YI-IW | cid_16196582) Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-26-75-28-30-77-31-29-76-27-17-57-52-59-53(68-22-18-66(19-23-68)50(73)47(34-41-33-40-11-9-10-12-44(40)58-41)70-36-46(63-64-70)48(56)37(4)7-2)61-54(60-52)69-24-20-67(21-25-69)51(74)49(38(5)8-3)71-35-45(62-65-71)43(55)32-39-13-15-42(72)16-14-39;/h1,9-16,33,35-38,43,47-49,58,72H,7-8,17-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t37?,38-,43-,47-,48-,49-;/m0./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	3.73E+3	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))	BDBM51868 (MLS000562841 | SMR000391160 | YI-IW | cid_16196582) Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-26-75-28-30-77-31-29-76-27-17-57-52-59-53(68-22-18-66(19-23-68)50(73)47(34-41-33-40-11-9-10-12-44(40)58-41)70-36-46(63-64-70)48(56)37(4)7-2)61-54(60-52)69-24-20-67(21-25-69)51(74)49(38(5)8-3)71-35-45(62-65-71)43(55)32-39-13-15-42(72)16-14-39;/h1,9-16,33,35-38,43,47-49,58,72H,7-8,17-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t37?,38-,43-,47-,48-,49-;/m0./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	1.01E+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