Compile Data Set for Download or QSAR

Found 807 hits of ic50 for UniProtKB: Q14145   

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
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50200467 (CHEMBL3899754) Show SMILES Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccc(N2CC[C@@H](C2)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FITC-9mer Nrf2 peptide interaction with human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 ce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01116 BindingDB Entry DOI: 10.7270/Q2VD7329
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576177 (WO2022056448, Compound 48) Show SMILES Cc1c2ccc3n(CCCCCCc4ccc(C(=O)N5CCc6ccc(cc6C5)[C@@H]2CC(O)=O)c2ccccc42)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576172 (WO2022056448, Compound 43) Show SMILES Cc1c2C(=O)N3CCc4ccc(cc4C3)[C@@H](CC(O)=O)c3cnc4n(CC\C=C/CCc5ccc(n2C)c1c5)nnc4c3C |r,c:29| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576170 (WO2022056448, Compound 41) Show SMILES Cc1c2ccc3n(CCCCCc4ccc(cc4CC(F)(F)F)C(=O)N4CCc5ccc(cc5C4)[C@@H]2CC(O)=O)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576179 (WO2022056448, Compound 50) Show SMILES Cc1c2ccc3n(CCCCCCc4ccc(C(=O)N5CCc6ccc(cc6C5)[C@H]2CC(O)=O)c2ccccc42)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576175 (WO2022056448, Compound 46) Show SMILES C[C@H]([C@@H]1c2ccc(OCC\C=C\Cc3ccc(cc3)C(=O)N3CCc4ccc1cc4C3)nc2)C(O)=O |r,t:10| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576162 (WO2022056448, Compound 33) Show SMILES Cc1c2ccc3n(CCCCCc4ccc(C(=O)N5CCc6ccc(cc6C5)[C@@H]2CC(O)=O)c2ccn(C)c42)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576167 (WO2022056448, Compound 38) Show SMILES CC([C@H]1c2ccc3CCN(Cc3c2)C(=O)c2ccc(CCCCCn3nnc4c(C)c1ccc34)c(CC(F)F)c2)C(O)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576155 (WO2022056448, Compound 26) Show SMILES Cc1c2ccc3n(CCCCCc4ccc(C(=O)N5CCc6ccc(cc6C5)[C@@H]2CC(O)=O)c2n(C)ccc42)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576156 (WO2022056448, Compound 27) Show SMILES Cc1c2ccc3n(CCCCCCc4ccc(C(=O)N5CCc6ccc(cc6C5)[C@@H]2CC(O)=O)c2n(C)ccc42)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576157 (WO2022056448, Compound 28) Show SMILES C[C@H]([C@H]1c2ccc3CCN(Cc3c2)C(=O)C2=Cc3cc(CCCCCCn4nnc5c(C)c1ccc45)ccc3C2C)C(O)=O |r,t:17| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576178 (WO2022056448, Compound 49) Show SMILES CN1C2Cc3c1cccc3CCCCCn1nnc3c(C)c(ccc13)C(CC(O)=O)c1ccc3CCN(Cc3c1)C2=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576161 (WO2022056448, Compound 32) Show SMILES Cc1c2ccc3n(CCCCCCc4ccc(C(=O)N5CCc6ccc(cc6C5)[C@@H]2CC(O)=O)c2ccn(C)c42)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576166 (WO2022056448, Compound 37) Show SMILES Cc1c2ccc3n(CCCCCCc4ccc(cc4CC(F)F)C(=O)N4CCc5ccc(cc5C4)[C@@H]2CC(O)=O)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576168 (WO2022056448, Compound 39) Show SMILES Cc1c2ccc3n(CCCCCCc4ccc5n(CC(F)F)c(cc5c4)C(=O)N4CCc5ccc(cc5C4)[C@@H]2CC(O)=O)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	1.05	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576163 (WO2022056448, Compound 34) Show SMILES C[C@@H]([C@H]1c2ccc3CCN(Cc3c2)C(=O)C2=Cc3cc(CCCCCCn4nnc5c(C)c1ccc45)ccc3C2C)C(O)=O |r,t:17| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576171 (WO2022056448, Compound 42) Show SMILES Cc1c2ccc3n(CCCCCCc4ccc(cc4CC(F)(F)F)C(=O)N4CCc5ccc(cc5C4)[C@@H]2CC(O)=O)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	1.15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576160 (WO2022056448, Compound 31) Show SMILES Cc1c2ccc3n(CCCCCCc4ccc5n(CCC(F)(F)F)c(cc5c4)C(=O)N4CCc5ccc(cc5C4)[C@@H]2CC(O)=O)nnc13 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50590849 (CHEMBL5176959) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc2ccc(OCCSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(O)=O)cc2 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01077 BindingDB Entry DOI: 10.7270/Q24Q7ZZW
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547574 (CHEMBL4747964) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCn1cc(C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)nn1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547568 (CHEMBL4791554) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@]([H])(CCC(=O)NC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547569 (CHEMBL4764193) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@]([H])(CCC(=O)NC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547572 (CHEMBL4788971) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCn1cc(C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)nn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)C(C)C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547573 (CHEMBL4747827) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCn1cc(C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)nn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)CC |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547571 (CHEMBL4755277) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCn1cc(C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N1CCC[C@H]1C(N)=O)[C@@H](C)CC |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547566 (CHEMBL4790062) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@]([H])(CCC(=O)NC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)C(C)C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547567 (CHEMBL4781886) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@]([H])(CCC(=O)NC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)CC |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576173 (WO2022056448, Compound 44) Show SMILES CC([C@H]1c2ccc3CCN(Cc3c2)C(=O)c2c(F)c(F)c(CCCCCOc3ccc1c(C)c3)c(F)c2F)C(O)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547575 (CHEMBL4740349) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCn1cc(C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)nn1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547565 (CHEMBL4756743) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@]([H])(CCC(=O)NC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)CC |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576165 (WO2022056448, Compound 36) Show SMILES C[C@H]([C@H]1c2ccc3CCN(Cc3c2)C(=O)c2c(F)c(F)c(CCCCCCn3nnc4c(C)c1cnc34)c(F)c2F)C(O)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. T...				Citation and Details BindingDB Entry DOI: 10.7270/Q21V5J6R
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50006932 (CHEMBL3237245) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50180850 (CHEMBL3819587) Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	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 BindingDB Entry DOI: 10.7270/Q20R9SSF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50200466 (CHEMBL3913014) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSSC[C@H](NC1=O)C(O)=O)NC(C)=O)[C@@H](C)O |r| Show InChI InChI=1S/C54H79N11O21S2/c1-25(2)18-33-47(78)62-36(21-43(74)75)53(84)65-17-7-8-39(65)51(82)58-32(14-16-42(72)73)46(77)64-44(27(5)66)52(83)55-22-40(69)57-31(13-15-41(70)71)45(76)61-35(20-29-9-11-30(68)12-10-29)49(80)59-34(19-26(3)4)48(79)63-38(54(85)86)24-88-87-23-37(50(81)60-33)56-28(6)67/h9-12,25-27,31-39,44,66,68H,7-8,13-24H2,1-6H3,(H,55,83)(H,56,67)(H,57,69)(H,58,82)(H,59,80)(H,60,81)(H,61,76)(H,62,78)(H,63,79)(H,64,77)(H,70,71)(H,72,73)(H,74,75)(H,85,86)/t27-,31+,32+,33+,34+,35+,36+,37+,38+,39+,44+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain (unknown origin) interaction with Nrf2 assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain b...				J Med Chem 59: 10837-10858 (2016) Article DOI: 10.1021/acs.jmedchem.6b00586 BindingDB Entry DOI: 10.7270/Q2377BPQ
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50321036 (CHEMBL4160447) Show SMILES C[C@H](Oc1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1[C@@H]1C[C@H]1c1cn(C)nn1)C1CCCCC1 |r| Show InChI InChI=1S/C30H33N5O3/c1-19(20-8-4-3-5-9-20)38-24-13-7-11-22(15-24)21-10-6-12-23(14-21)35-29(27(17-31-35)30(36)37)26-16-25(26)28-18-34(2)33-32-28/h6-7,10-15,17-20,25-26H,3-5,8-9,16H2,1-2H3,(H,36,37)/t19-,25+,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304725 (3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1 |r| Show InChI InChI=1S/C28H30N4O5S/c1-17-9-10-20(23(14-27(33)34)22-11-12-24-28(19(22)3)29-30-31(24)4)13-21(17)16-32-15-18(2)37-25-7-5-6-8-26(25)38(32,35)36/h5-13,18,23H,14-16H2,1-4H3,(H,33,34)/t18-,23?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304727 (3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...) Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304730 (3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES CCN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C29H33N5O4S/c1-5-33-14-15-34(39(37,38)27-9-7-6-8-25(27)33)18-22-16-21(11-10-19(22)2)24(17-28(35)36)23-12-13-26-29(20(23)3)30-31-32(26)4/h6-13,16,24H,5,14-15,17-18H2,1-4H3,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304732 (3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...) Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ncccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C27H29N5O6S/c1-16-7-8-18(21(13-25(33)34)19-11-22-26(23(12-19)37-4)31(3)30-29-22)10-20(16)15-32-14-17(2)38-27-24(39(32,35)36)6-5-9-28-27/h5-12,17,21H,13-15H2,1-4H3,(H,33,34)/t17-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304734 ((R)-3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl...) Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)[C@@H](CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1 |r| Show InChI InChI=1S/C28H30N4O5S/c1-17-9-10-20(23(14-27(33)34)22-11-12-24-28(19(22)3)29-30-31(24)4)13-21(17)16-32-15-18(2)37-25-7-5-6-8-26(25)38(32,35)36/h5-13,18,23H,14-16H2,1-4H3,(H,33,34)/t18-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304736 (3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2cccnc2O1 Show InChI InChI=1S/C28H31N5O5S/c1-5-21-16-33(39(36,37)25-7-6-12-29-28(25)38-21)15-20-13-19(9-8-17(20)2)23(14-26(34)35)22-10-11-24-27(18(22)3)30-31-32(24)4/h6-13,21,23H,5,14-16H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304737 (3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-benzo[b]...) Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2ccccc2O1 Show InChI InChI=1S/C29H32N4O6S/c1-5-22-17-33(40(36,37)27-9-7-6-8-25(27)39-22)16-21-12-19(11-10-18(21)2)23(15-28(34)35)20-13-24-29(26(14-20)38-4)32(3)31-30-24/h6-14,22-23H,5,15-17H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304738 (3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyrido[2...) Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2cccnc2O1 Show InChI InChI=1S/C28H31N5O6S/c1-5-21-16-33(40(36,37)25-7-6-10-29-28(25)39-21)15-20-11-18(9-8-17(20)2)22(14-26(34)35)19-12-23-27(24(13-19)38-4)32(3)31-30-23/h6-13,21-22H,5,14-16H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304740 (3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES CCN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2cccnc12 Show InChI InChI=1S/C28H32N6O4S/c1-5-33-13-14-34(39(37,38)25-7-6-12-29-28(25)33)17-21-15-20(9-8-18(21)2)23(16-26(35)36)22-10-11-24-27(19(22)3)30-31-32(24)4/h6-12,15,23H,5,13-14,16-17H2,1-4H3,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304755 (3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...) Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CC)nnc3c2C)S(=O)(=O)c2cccnc2O1 |r| Show InChI InChI=1S/C29H33N5O5S/c1-5-22-17-33(40(37,38)26-8-7-13-30-29(26)39-22)16-21-14-20(10-9-18(21)3)24(15-27(35)36)23-11-12-25-28(19(23)4)31-32-34(25)6-2/h7-14,22,24H,5-6,15-17H2,1-4H3,(H,35,36)/t22-,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human))	BDBM304887 (3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-benz...) Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CCc2cn(CC)nn2)C(C)C(O)=O)S(=O)(=O)c2ccccc2O1 |r,w:14.14,23.25| Show InChI InChI=1S/C28H36N4O5S/c1-5-24-18-32(38(35,36)27-10-8-7-9-26(27)37-24)16-22-15-21(12-11-19(22)3)25(20(4)28(33)34)14-13-23-17-31(6-2)30-29-23/h7-12,15,17,20,24-25H,5-6,13-14,16,18H2,1-4H3,(H,33,34)/t20?,24-,25?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent					Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...				US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50321027 (CHEMBL4175603) Show SMILES CCCC[C@@H]1CCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 |r| Show InChI InChI=1S/C28H31N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h4-5,7-9,11,16-19,23H,2-3,6,10,12-15H2,1H3,(H,33,34)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human Keap1 kelch domain (321 to 609 residues) binding to TAMRA-labeled Nrf2-ETGE peptide after 1 hr by fluorescence polarization assay				J Med Chem 61: 8088-8103 (2018) Article DOI: 10.1021/acs.jmedchem.8b00358 BindingDB Entry DOI: 10.7270/Q2CJ8H17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM304727 (3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...) Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in...				J Med Chem 62: 4683-4702 (2019) Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547516 (CHEMBL4762897) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CSCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50547560 (CHEMBL4792032) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115738 BindingDB Entry DOI: 10.7270/Q2QV3R4S
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 807 total )  |  Next  |  Last  >>

Jump to: