BDBM50498210 CHEMBL3423015

SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=PNBJKHBPNIRWAS-RPSZKARGSA-N

Data: 2 KI  2 Kd  1 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 = 50498210   

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
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50498210 (CHEMBL3423015) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C46H69N9O19/c1-22(2)17-26(47)39(66)52-31(20-37(64)65)44(71)51-28(12-15-35(60)61)41(68)50-29(13-16-36(62)63)42(69)55-38(24(5)56)45(72)48-21-33(57)49-27(11-14-34(58)59)40(67)53-30(19-25-9-7-6-8-10-25)43(70)54-32(46(73)74)18-23(3)4/h6-10,22-24,26-32,38,56H,11-21,47H2,1-5H3,(H,48,72)(H,49,57)(H,50,68)(H,51,71)(H,52,66)(H,53,67)(H,54,70)(H,55,69)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,73,74)/t24-,26+,27+,28+,29+,30+,31+,32+,38+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measu...				J Med Chem 62: 8028-8052 (2019) Article DOI: 10.1021/acs.jmedchem.9b00723
					More data for this Ligand-Target Pair
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50498210 (CHEMBL3423015) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C46H69N9O19/c1-22(2)17-26(47)39(66)52-31(20-37(64)65)44(71)51-28(12-15-35(60)61)41(68)50-29(13-16-36(62)63)42(69)55-38(24(5)56)45(72)48-21-33(57)49-27(11-14-34(58)59)40(67)53-30(19-25-9-7-6-8-10-25)43(70)54-32(46(73)74)18-23(3)4/h6-10,22-24,26-32,38,56H,11-21,47H2,1-5H3,(H,48,72)(H,49,57)(H,50,68)(H,51,71)(H,52,66)(H,53,67)(H,54,70)(H,55,69)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,73,74)/t24-,26+,27+,28+,29+,30+,31+,32+,38+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells by fluorescence polariza...				J Med Chem 62: 8028-8052 (2019) Article DOI: 10.1021/acs.jmedchem.9b00723
					More data for this Ligand-Target Pair
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50498210 (CHEMBL3423015) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C46H69N9O19/c1-22(2)17-26(47)39(66)52-31(20-37(64)65)44(71)51-28(12-15-35(60)61)41(68)50-29(13-16-36(62)63)42(69)55-38(24(5)56)45(72)48-21-33(57)49-27(11-14-34(58)59)40(67)53-30(19-25-9-7-6-8-10-25)43(70)54-32(46(73)74)18-23(3)4/h6-10,22-24,26-32,38,56H,11-21,47H2,1-5H3,(H,48,72)(H,49,57)(H,50,68)(H,51,71)(H,52,66)(H,53,67)(H,54,70)(H,55,69)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,73,74)/t24-,26+,27+,28+,29+,30+,31+,32+,38+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as thermal stabiliza...				J Med Chem 62: 8028-8052 (2019) Article DOI: 10.1021/acs.jmedchem.9b00723
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50498210 (CHEMBL3423015) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C46H69N9O19/c1-22(2)17-26(47)39(66)52-31(20-37(64)65)44(71)51-28(12-15-35(60)61)41(68)50-29(13-16-36(62)63)42(69)55-38(24(5)56)45(72)48-21-33(57)49-27(11-14-34(58)59)40(67)53-30(19-25-9-7-6-8-10-25)43(70)54-32(46(73)74)18-23(3)4/h6-10,22-24,26-32,38,56H,11-21,47H2,1-5H3,(H,48,72)(H,49,57)(H,50,68)(H,51,71)(H,52,66)(H,53,67)(H,54,70)(H,55,69)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,73,74)/t24-,26+,27+,28+,29+,30+,31+,32+,38+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	352	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to Keap1/Nrf2 complex (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 25: 2261-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.019 BindingDB Entry DOI: 10.7270/Q20V8GSC
					More data for this Ligand-Target Pair
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50498210 (CHEMBL3423015) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C46H69N9O19/c1-22(2)17-26(47)39(66)52-31(20-37(64)65)44(71)51-28(12-15-35(60)61)41(68)50-29(13-16-36(62)63)42(69)55-38(24(5)56)45(72)48-21-33(57)49-27(11-14-34(58)59)40(67)53-30(19-25-9-7-6-8-10-25)43(70)54-32(46(73)74)18-23(3)4/h6-10,22-24,26-32,38,56H,11-21,47H2,1-5H3,(H,48,72)(H,49,57)(H,50,68)(H,51,71)(H,52,66)(H,53,67)(H,54,70)(H,55,69)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,73,74)/t24-,26+,27+,28+,29+,30+,31+,32+,38+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	352	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ...				J Med Chem 62: 8028-8052 (2019) Article DOI: 10.1021/acs.jmedchem.9b00723
					More data for this Ligand-Target Pair