Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 10880   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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))	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))	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))	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))	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))	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))	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))	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))	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/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/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/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM576176 (WO2022056448, Compound 47) 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	26	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))	BDBM576169 (WO2022056448, Compound 40) Show SMILES OC(=O)C[C@@H]1c2cnc(OC\C=C\CCc3c(F)c(F)c(c(F)c3F)C(=O)N3CCc4ccc1cc4C3)nc2 |r,t:11| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	50	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))	BDBM576159 (WO2022056448, Compound 30) 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	130	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))	BDBM576158 (WO2022056448, Compound 29) 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	147	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))	BDBM576174 (WO2022056448, Compound 45) Show SMILES OC(=O)C[C@H]1c2cnc(OCCCCCc3c(F)c(F)c(c(F)c3F)C(=O)N3CCc4ccc1cc4C3)nc2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	236	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))	BDBM576164 (WO2022056448, Compound 35) Show SMILES OC(=O)C[C@H]1c2cnc(OC\C=C\CCc3c(F)c(F)c(c(F)c3F)C(=O)N3CCc4ccc1cc4C3)nc2 |r,t:11| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022056448	n/a	n/a	751	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