BDBM51863 LY-LW::MLS000562563::SMR000391059::cid_16196543

SMILES: Cl.CC(C)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](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C

InChI Key: InChIKey=VOTRHSMZUMOHGJ-HOWWALQTSA-N

Data: 1 IC50  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 3 hits for monomerid = 51863   

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))	BDBM51863 (LY-LW | MLS000562563 | SMR000391059 | cid_16196543) Show SMILES Cl.CC(C)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](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-24-75-26-28-77-29-27-76-25-15-57-52-59-53(68-20-16-66(17-21-68)50(73)48(32-39-11-13-42(72)14-12-39)70-35-46(62-64-70)43(55)30-37(2)3)61-54(60-52)69-22-18-67(19-23-69)51(74)49(34-41-33-40-9-7-8-10-45(40)58-41)71-36-47(63-65-71)44(56)31-38(4)5;/h1,7-14,33,35-38,43-44,48-49,58,72H,15-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t43-,44-,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	3.00E+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
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM51863 (LY-LW | MLS000562563 | SMR000391059 | cid_16196543) Show SMILES Cl.CC(C)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](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-24-75-26-28-77-29-27-76-25-15-57-52-59-53(68-20-16-66(17-21-68)50(73)48(32-39-11-13-42(72)14-12-39)70-35-46(62-64-70)43(55)30-37(2)3)61-54(60-52)69-22-18-67(19-23-69)51(74)49(34-41-33-40-9-7-8-10-45(40)58-41)71-36-47(63-65-71)44(56)31-38(4)5;/h1,7-14,33,35-38,43-44,48-49,58,72H,15-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t43-,44-,48-,49-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51863 (LY-LW | MLS000562563 | SMR000391059 | cid_16196543) Show SMILES Cl.CC(C)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](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C54H75N17O6.ClH/c1-6-24-75-26-28-77-29-27-76-25-15-57-52-59-53(68-20-16-66(17-21-68)50(73)48(32-39-11-13-42(72)14-12-39)70-35-46(62-64-70)43(55)30-37(2)3)61-54(60-52)69-22-18-67(19-23-69)51(74)49(34-41-33-40-9-7-8-10-45(40)58-41)71-36-47(63-65-71)44(56)31-38(4)5;/h1,7-14,33,35-38,43-44,48-49,58,72H,15-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t43-,44-,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	5.14E+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