Compile Data Set for Download or QSAR

Found 631 hits with Last Name = 'hampton' and Initial = 'c'   

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
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326300 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326298 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50084684 (CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...) Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326303 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326304 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326304 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326303 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326300 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50084684 (CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...) Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326299 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326298 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326306 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326302 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326301 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326301 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326301 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326302 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326305 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	711	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326299 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326303 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326306 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	844	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326300 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326299 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50326307 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C32H45N5O5/c1-24(2)21-28(35-32(41)42-23-26-13-8-5-9-14-26)30(39)34-27(22-25-11-6-4-7-12-25)29(38)31(40)33-15-10-16-37-19-17-36(3)18-20-37/h4-9,11-14,24,27-28H,10,15-23H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)/t27?,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine erythrocyte calpain 1				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326302 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326304 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326298 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...) Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326305 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Sus scrofa)	BDBM50326307 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C32H45N5O5/c1-24(2)21-28(35-32(41)42-23-26-13-8-5-9-14-26)30(39)34-27(22-25-11-6-4-7-12-25)29(38)31(40)33-15-10-16-37-19-17-36(3)18-20-37/h4-9,11-14,24,27-28H,10,15-23H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)/t27?,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of porcine kidney calpain 2				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50084684 (CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...) Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326306 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326307 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C32H45N5O5/c1-24(2)21-28(35-32(41)42-23-26-13-8-5-9-14-26)30(39)34-27(22-25-11-6-4-7-12-25)29(38)31(40)33-15-10-16-37-19-17-36(3)18-20-37/h4-9,11-14,24,27-28H,10,15-23H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)/t27?,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50326305 (3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.75E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 53: 6326-36 (2010) Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM194954 (US9206198, 7) Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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					Assay Description Inhibition of rat Kir1.1 expressed in HEK293 cells by electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00406 BindingDB Entry DOI: 10.7270/Q24M98D5
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM194951 (US9206198, 5) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1 |r,t:23| Show InChI InChI=1S/C23H26N2O6/c1-14-16(2-3-17-18(14)13-31-21(17)28)19(26)11-24-7-4-23(5-8-24)6-9-25(22(23)29)15-10-20(27)30-12-15/h2-3,10,19,26H,4-9,11-13H2,1H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00406 BindingDB Entry DOI: 10.7270/Q24M98D5
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50249205 (CHEMBL4062753) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccns2)CC1 |r| Show InChI InChI=1S/C22H25N3O4S/c1-14-15(2-3-16-17(14)13-29-20(16)27)18(26)12-24-9-5-22(6-10-24)7-11-25(21(22)28)19-4-8-23-30-19/h2-4,8,18,26H,5-7,9-13H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method				Bioorg Med Chem Lett 27: 2559-2566 (2017) Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM194954 (US9206198, 7) Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00406 BindingDB Entry DOI: 10.7270/Q24M98D5
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50249244 (CHEMBL4103004) Show SMILES COc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-21(17)30)19(29)13-27-10-6-24(7-11-27)8-12-28(22(24)31)20-5-9-25-23(26-20)32-2/h3-5,9,19,29H,6-8,10-14H2,1-2H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method				Bioorg Med Chem Lett 27: 2559-2566 (2017) Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM155921 (US9018211, 2A) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin) after 30 mins by Tl+ influx assay				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122 BindingDB Entry DOI: 10.7270/Q25X2DF1
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM155921 (US9018211, 2A) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin) after 30 mins by Tl+ influx assay				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122 BindingDB Entry DOI: 10.7270/Q25X2DF1
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM194970 (US9206198, 25) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(Cl)C(=O)OC2)CC1 |r,c:26| Show InChI InChI=1S/C23H25ClN2O6/c1-13-14(2-3-15-16(13)11-31-20(15)28)18(27)10-25-7-4-23(5-8-25)6-9-26(22(23)30)17-12-32-21(29)19(17)24/h2-3,18,27H,4-12H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00406 BindingDB Entry DOI: 10.7270/Q24M98D5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391770 (CHEMBL2146755 | US9073882, 1) Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1 Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122 BindingDB Entry DOI: 10.7270/Q25X2DF1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391770 (CHEMBL2146755 | US9073882, 1) Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1 Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122 BindingDB Entry DOI: 10.7270/Q25X2DF1
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50249205 (CHEMBL4062753) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccns2)CC1 |r| Show InChI InChI=1S/C22H25N3O4S/c1-14-15(2-3-16-17(14)13-29-20(16)27)18(26)12-24-9-5-22(6-10-24)7-11-25(21(22)28)19-4-8-23-30-19/h2-4,8,18,26H,5-7,9-13H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay				Bioorg Med Chem Lett 27: 2559-2566 (2017) Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50249227 (CHEMBL4095422) Show SMILES Cc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C22H26N4O4S/c1-13-15(3-4-16-17(13)12-30-19(16)28)18(27)11-25-8-5-22(6-9-25)7-10-26(20(22)29)21-23-14(2)24-31-21/h3-4,18,27H,5-12H2,1-2H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method				Bioorg Med Chem Lett 27: 2559-2566 (2017) Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM155923 (US9018211, 2C) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122 BindingDB Entry DOI: 10.7270/Q25X2DF1
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM155921 (US9018211, 2A) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122 BindingDB Entry DOI: 10.7270/Q25X2DF1
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM155921 (US9018211, 2A) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00406 BindingDB Entry DOI: 10.7270/Q24M98D5
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM155921 (US9018211, 2A) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122 BindingDB Entry DOI: 10.7270/Q25X2DF1
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM155923 (US9018211, 2C) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122 BindingDB Entry DOI: 10.7270/Q25X2DF1
					More data for this Ligand-Target Pair

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