BDBM51860 MLS000562855::SMR000391143::YW-LK::cid_16196513

SMILES: Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=ALMYUJDQZWOBOO-HOWWALQTSA-N

Data: 3 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 5 hits for monomerid = 51860   

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))	BDBM51860 (MLS000562855 | SMR000391143 | YW-LK | cid_16196513) Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C54H76N18O6.ClH/c1-4-26-76-28-30-78-31-29-77-27-17-58-52-60-53(69-22-18-67(19-23-69)50(74)48(11-7-8-16-55)71-36-46(63-65-71)43(56)32-38(2)3)62-54(61-52)70-24-20-68(21-25-70)51(75)49(35-41-34-40-9-5-6-10-45(40)59-41)72-37-47(64-66-72)44(57)33-39-12-14-42(73)15-13-39;/h1,5-6,9-10,12-15,34,36-38,43-44,48-49,59,73H,7-8,11,16-33,35,55-57H2,2-3H3,(H,58,60,61,62);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	1.11E+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
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51860 (MLS000562855 | SMR000391143 | YW-LK | cid_16196513) Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C54H76N18O6.ClH/c1-4-26-76-28-30-78-31-29-77-27-17-58-52-60-53(69-22-18-67(19-23-69)50(74)48(11-7-8-16-55)71-36-46(63-65-71)43(56)32-38(2)3)62-54(61-52)70-24-20-68(21-25-70)51(75)49(35-41-34-40-9-5-6-10-45(40)59-41)72-37-47(64-66-72)44(57)33-39-12-14-42(73)15-13-39;/h1,5-6,9-10,12-15,34,36-38,43-44,48-49,59,73H,7-8,11,16-33,35,55-57H2,2-3H3,(H,58,60,61,62);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/Q21Z42TP
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM51860 (MLS000562855 | SMR000391143 | YW-LK | cid_16196513) Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C54H76N18O6.ClH/c1-4-26-76-28-30-78-31-29-77-27-17-58-52-60-53(69-22-18-67(19-23-69)50(74)48(11-7-8-16-55)71-36-46(63-65-71)43(56)32-38(2)3)62-54(61-52)70-24-20-68(21-25-70)51(75)49(35-41-34-40-9-5-6-10-45(40)59-41)72-37-47(64-66-72)44(57)33-39-12-14-42(73)15-13-39;/h1,5-6,9-10,12-15,34,36-38,43-44,48-49,59,73H,7-8,11,16-33,35,55-57H2,2-3H3,(H,58,60,61,62);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	2.78E+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
Bfl-1 (Mus musculus (Mouse))	BDBM51860 (MLS000562855 | SMR000391143 | YW-LK | cid_16196513) Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C54H76N18O6.ClH/c1-4-26-76-28-30-78-31-29-77-27-17-58-52-60-53(69-22-18-67(19-23-69)50(74)48(11-7-8-16-55)71-36-46(63-65-71)43(56)32-38(2)3)62-54(61-52)70-24-20-68(21-25-70)51(75)49(35-41-34-40-9-5-6-10-45(40)59-41)72-37-47(64-66-72)44(57)33-39-12-14-42(73)15-13-39;/h1,5-6,9-10,12-15,34,36-38,43-44,48-49,59,73H,7-8,11,16-33,35,55-57H2,2-3H3,(H,58,60,61,62);1H/t43-,44-,48-,49-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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/Q25D8Q92
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM51860 (MLS000562855 | SMR000391143 | YW-LK | cid_16196513) Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C54H76N18O6.ClH/c1-4-26-76-28-30-78-31-29-77-27-17-58-52-60-53(69-22-18-67(19-23-69)50(74)48(11-7-8-16-55)71-36-46(63-65-71)43(56)32-38(2)3)62-54(61-52)70-24-20-68(21-25-70)51(75)49(35-41-34-40-9-5-6-10-45(40)59-41)72-37-47(64-66-72)44(57)33-39-12-14-42(73)15-13-39;/h1,5-6,9-10,12-15,34,36-38,43-44,48-49,59,73H,7-8,11,16-33,35,55-57H2,2-3H3,(H,58,60,61,62);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	3.61E+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/Q2X34VX0
					More data for this Ligand-Target Pair