BDBM51859 IW-LW::MLS000562576::SMR000391064::cid_16196504

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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C

InChI Key: InChIKey=WFHVKFPWMXKZNP-OMQIKGMMSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 51859   

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))	BDBM51859 (IW-LW | MLS000562576 | SMR000391064 | cid_16196504) 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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-25-77-27-29-79-30-28-78-26-16-59-54-62-55(71-21-17-69(18-22-71)52(75)49(34-42-32-40-12-8-10-14-45(40)60-42)73-36-47(65-67-73)44(57)31-38(3)4)64-56(63-54)72-23-19-70(20-24-72)53(76)50(35-43-33-41-13-9-11-15-46(41)61-43)74-37-48(66-68-74)51(58)39(5)7-2;/h1,8-15,32-33,36-39,44,49-51,60-61H,7,16-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t39?,44-,49-,50-,51-;/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	3.62E+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/Q25Q4THK
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM51859 (IW-LW | MLS000562576 | SMR000391064 | cid_16196504) 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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-25-77-27-29-79-30-28-78-26-16-59-54-62-55(71-21-17-69(18-22-71)52(75)49(34-42-32-40-12-8-10-14-45(40)60-42)73-36-47(65-67-73)44(57)31-38(3)4)64-56(63-54)72-23-19-70(20-24-72)53(76)50(35-43-33-41-13-9-11-15-46(41)61-43)74-37-48(66-68-74)51(58)39(5)7-2;/h1,8-15,32-33,36-39,44,49-51,60-61H,7,16-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t39?,44-,49-,50-,51-;/m0./s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.48E+4	n/a	n/a	n/a	n/a
Sanford-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, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2N58JTN
					More data for this Ligand-Target Pair
Zinc aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM51859 (IW-LW | MLS000562576 | SMR000391064 | cid_16196504) 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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-25-77-27-29-79-30-28-78-26-16-59-54-62-55(71-21-17-69(18-22-71)52(75)49(34-42-32-40-12-8-10-14-45(40)60-42)73-36-47(65-67-73)44(57)31-38(3)4)64-56(63-54)72-23-19-70(20-24-72)53(76)50(35-43-33-41-13-9-11-15-46(41)61-43)74-37-48(66-68-74)51(58)39(5)7-2;/h1,8-15,32-33,36-39,44,49-51,60-61H,7,16-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t39?,44-,49-,50-,51-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51859 (IW-LW | MLS000562576 | SMR000391064 | cid_16196504) 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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-25-77-27-29-79-30-28-78-26-16-59-54-62-55(71-21-17-69(18-22-71)52(75)49(34-42-32-40-12-8-10-14-45(40)60-42)73-36-47(65-67-73)44(57)31-38(3)4)64-56(63-54)72-23-19-70(20-24-72)53(76)50(35-43-33-41-13-9-11-15-46(41)61-43)74-37-48(66-68-74)51(58)39(5)7-2;/h1,8-15,32-33,36-39,44,49-51,60-61H,7,16-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t39?,44-,49-,50-,51-;/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	2.69E+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