BDBM51871 MLS000562897::SMR000391157::YI-LK::cid_16196598

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

InChI Key: InChIKey=LNIFOYKCLABAHC-YWRKMRJASA-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 = 51871   

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))	BDBM51871 (MLS000562897 | SMR000391157 | YI-LK | cid_16196598) Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C49H77N17O6.ClH/c1-6-25-70-27-29-72-30-28-71-26-16-53-47-54-48(63-21-17-61(18-22-63)45(68)43(10-8-9-15-50)65-33-41(57-59-65)39(51)31-35(3)4)56-49(55-47)64-23-19-62(20-24-64)46(69)44(36(5)7-2)66-34-42(58-60-66)40(52)32-37-11-13-38(67)14-12-37;/h1,11-14,33-36,39-40,43-44,67H,7-10,15-32,50-52H2,2-5H3,(H,53,54,55,56);1H/t36-,39-,40-,43-,44-;/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/Q21Z42TP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51871 (MLS000562897 | SMR000391157 | YI-LK | cid_16196598) Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C49H77N17O6.ClH/c1-6-25-70-27-29-72-30-28-71-26-16-53-47-54-48(63-21-17-61(18-22-63)45(68)43(10-8-9-15-50)65-33-41(57-59-65)39(51)31-35(3)4)56-49(55-47)64-23-19-62(20-24-64)46(69)44(36(5)7-2)66-34-42(58-60-66)40(52)32-37-11-13-38(67)14-12-37;/h1,11-14,33-36,39-40,43-44,67H,7-10,15-32,50-52H2,2-5H3,(H,53,54,55,56);1H/t36-,39-,40-,43-,44-;/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	1.47E+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