BDBM51887 LIW-LI::MLS000562537::SMR000391049::cid_16745364

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

InChI Key: InChIKey=TZNMJBLCFUEHIV-KVLHESQSSA-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 = 51887   

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))	BDBM51887 (LIW-LI | MLS000562537 | SMR000391049 | cid_1674536...) Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C51H77N17O5.ClH/c1-8-23-71-25-27-73-28-26-72-24-14-54-49-56-50(58-51(57-49)66-21-17-64(18-22-66)48(70)46(37(7)9-2)68-34-44(60-62-68)41(53)30-36(5)6)65-19-15-63(16-20-65)47(69)45(32-39-31-38-12-10-11-13-42(38)55-39)67-33-43(59-61-67)40(52)29-35(3)4;/h1,10-13,31,33-37,40-41,45-46,55H,9,14-30,32,52-53H2,2-7H3,(H,54,56,57,58);1H/t37-,40-,41-,45-,46-;/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	7.74E+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))	BDBM51887 (LIW-LI | MLS000562537 | SMR000391049 | cid_1674536...) Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C51H77N17O5.ClH/c1-8-23-71-25-27-73-28-26-72-24-14-54-49-56-50(58-51(57-49)66-21-17-64(18-22-66)48(70)46(37(7)9-2)68-34-44(60-62-68)41(53)30-36(5)6)65-19-15-63(16-20-65)47(69)45(32-39-31-38-12-10-11-13-42(38)55-39)67-33-43(59-61-67)40(52)29-35(3)4;/h1,10-13,31,33-37,40-41,45-46,55H,9,14-30,32,52-53H2,2-7H3,(H,54,56,57,58);1H/t37-,40-,41-,45-,46-;/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	2.09E+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