BDBM51867 MLS000562538::SI-IW::SMR000391120::cid_16196580

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)CO

InChI Key: InChIKey=BJEADIZXPHBMIS-JGYYBTKJSA-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 = 51867   

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))	BDBM51867 (MLS000562538 | SI-IW | SMR000391120 | cid_16196580) 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)CO Show InChI InChI=1S/C48H71N17O6.ClH/c1-6-22-69-24-26-71-27-25-70-23-13-51-46-53-47(55-48(54-46)63-20-16-61(17-21-63)45(68)43(34(5)8-3)65-30-39(56-59-65)37(49)32-66)62-18-14-60(15-19-62)44(67)41(29-36-28-35-11-9-10-12-38(35)52-36)64-31-40(57-58-64)42(50)33(4)7-2;/h1,9-12,28,30-31,33-34,37,41-43,52,66H,7-8,13-27,29,32,49-50H2,2-5H3,(H,51,53,54,55);1H/t33?,34-,37-,41-,42-,43-;/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))	BDBM51867 (MLS000562538 | SI-IW | SMR000391120 | cid_16196580) 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)CO Show InChI InChI=1S/C48H71N17O6.ClH/c1-6-22-69-24-26-71-27-25-70-23-13-51-46-53-47(55-48(54-46)63-20-16-61(17-21-63)45(68)43(34(5)8-3)65-30-39(56-59-65)37(49)32-66)62-18-14-60(15-19-62)44(67)41(29-36-28-35-11-9-10-12-38(35)52-36)64-31-40(57-58-64)42(50)33(4)7-2;/h1,9-12,28,30-31,33-34,37,41-43,52,66H,7-8,13-27,29,32,49-50H2,2-5H3,(H,51,53,54,55);1H/t33?,34-,37-,41-,42-,43-;/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))	BDBM51867 (MLS000562538 | SI-IW | SMR000391120 | cid_16196580) 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)CO Show InChI InChI=1S/C48H71N17O6.ClH/c1-6-22-69-24-26-71-27-25-70-23-13-51-46-53-47(55-48(54-46)63-20-16-61(17-21-63)45(68)43(34(5)8-3)65-30-39(56-59-65)37(49)32-66)62-18-14-60(15-19-62)44(67)41(29-36-28-35-11-9-10-12-38(35)52-36)64-31-40(57-58-64)42(50)33(4)7-2;/h1,9-12,28,30-31,33-34,37,41-43,52,66H,7-8,13-27,29,32,49-50H2,2-5H3,(H,51,53,54,55);1H/t33?,34-,37-,41-,42-,43-;/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/Q21Z42TP
					More data for this Ligand-Target Pair