BDBM51866 LW-LW::MLS000562577::SMR000391050::cid_16196578

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

InChI Key: InChIKey=DKYXSAPBJXMIPO-DZOQQPGISA-N

Data: 3 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 6 hits for monomerid = 51866   

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))	BDBM51866 (LW-LW | MLS000562577 | SMR000391050 | cid_16196578) 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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-24-77-26-28-79-29-27-78-25-15-59-54-62-55(71-20-16-69(17-21-71)52(75)50(34-42-32-40-11-7-9-13-46(40)60-42)73-36-48(65-67-73)44(57)30-38(2)3)64-56(63-54)72-22-18-70(19-23-72)53(76)51(35-43-33-41-12-8-10-14-47(41)61-43)74-37-49(66-68-74)45(58)31-39(4)5;/h1,7-14,32-33,36-39,44-45,50-51,60-61H,15-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t44-,45-,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	1.44E+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
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51866 (LW-LW | MLS000562577 | SMR000391050 | cid_16196578) 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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-24-77-26-28-79-29-27-78-25-15-59-54-62-55(71-20-16-69(17-21-71)52(75)50(34-42-32-40-11-7-9-13-46(40)60-42)73-36-48(65-67-73)44(57)30-38(2)3)64-56(63-54)72-22-18-70(19-23-72)53(76)51(35-43-33-41-12-8-10-14-47(41)61-43)74-37-49(66-68-74)45(58)31-39(4)5;/h1,7-14,32-33,36-39,44-45,50-51,60-61H,15-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t44-,45-,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	3.00E+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
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM51866 (LW-LW | MLS000562577 | SMR000391050 | cid_16196578) 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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-24-77-26-28-79-29-27-78-25-15-59-54-62-55(71-20-16-69(17-21-71)52(75)50(34-42-32-40-11-7-9-13-46(40)60-42)73-36-48(65-67-73)44(57)30-38(2)3)64-56(63-54)72-22-18-70(19-23-72)53(76)51(35-43-33-41-12-8-10-14-47(41)61-43)74-37-49(66-68-74)45(58)31-39(4)5;/h1,7-14,32-33,36-39,44-45,50-51,60-61H,15-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t44-,45-,50-,51-;/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	6.40E+3	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/Q2SB4462
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM51866 (LW-LW | MLS000562577 | SMR000391050 | cid_16196578) 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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-24-77-26-28-79-29-27-78-25-15-59-54-62-55(71-20-16-69(17-21-71)52(75)50(34-42-32-40-11-7-9-13-46(40)60-42)73-36-48(65-67-73)44(57)30-38(2)3)64-56(63-54)72-22-18-70(19-23-72)53(76)51(35-43-33-41-12-8-10-14-47(41)61-43)74-37-49(66-68-74)45(58)31-39(4)5;/h1,7-14,32-33,36-39,44-45,50-51,60-61H,15-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t44-,45-,50-,51-;/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	1.04E+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
Bfl-1 (Mus musculus (Mouse))	BDBM51866 (LW-LW | MLS000562577 | SMR000391050 | cid_16196578) 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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-24-77-26-28-79-29-27-78-25-15-59-54-62-55(71-20-16-69(17-21-71)52(75)50(34-42-32-40-11-7-9-13-46(40)60-42)73-36-48(65-67-73)44(57)30-38(2)3)64-56(63-54)72-22-18-70(19-23-72)53(76)51(35-43-33-41-12-8-10-14-47(41)61-43)74-37-49(66-68-74)45(58)31-39(4)5;/h1,7-14,32-33,36-39,44-45,50-51,60-61H,15-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t44-,45-,50-,51-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.97E+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/Q25D8Q92
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM51866 (LW-LW | MLS000562577 | SMR000391050 | cid_16196578) 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](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-24-77-26-28-79-29-27-78-25-15-59-54-62-55(71-20-16-69(17-21-71)52(75)50(34-42-32-40-11-7-9-13-46(40)60-42)73-36-48(65-67-73)44(57)30-38(2)3)64-56(63-54)72-22-18-70(19-23-72)53(76)51(35-43-33-41-12-8-10-14-47(41)61-43)74-37-49(66-68-74)45(58)31-39(4)5;/h1,7-14,32-33,36-39,44-45,50-51,60-61H,15-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t44-,45-,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	5.35E+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