Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50016653   

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
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171626 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C35H34FN5O5S/c1-35(2,3)20-32(42)38-27-13-16-30-24(18-27)19-31(41(30)21-23-7-4-5-10-29(23)36)34(44)40-26-9-6-8-22(17-26)33(43)39-25-11-14-28(15-12-25)47(37,45)46/h4-19H,20-21H2,1-3H3,(H,38,42)(H,39,43)(H,40,44)(H2,37,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171614 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CS(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cc4cc(NC(=O)CC(C)(C)C)ccc4n3Cc3ccccc3F)c2)cc1 Show InChI InChI=1S/C36H35FN4O4S/c1-36(2,3)21-33(42)38-28-14-17-31-25(19-28)20-32(41(31)22-24-8-5-6-11-30(24)37)35(44)40-27-10-7-9-23(18-27)34(43)39-26-12-15-29(16-13-26)46(4)45/h5-20H,21-22H2,1-4H3,(H,38,42)(H,39,43)(H,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171633 (1-(2-Fluoro-benzyl)-5-[2-(1-methyl-cyclopentyl)-ac...) Show SMILES CC1(CC(=O)Nc2ccc3n(Cc4ccccc4F)c(cc3c2)C(=O)Nc2ccccc2)CCCC1 Show InChI InChI=1S/C30H30FN3O2/c1-30(15-7-8-16-30)19-28(35)32-24-13-14-26-22(17-24)18-27(29(36)33-23-10-3-2-4-11-23)34(26)20-21-9-5-6-12-25(21)31/h2-6,9-14,17-18H,7-8,15-16,19-20H2,1H3,(H,32,35)(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171611 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C36H35FN4O5S/c1-36(2,3)21-33(42)38-28-14-17-31-25(19-28)20-32(41(31)22-24-8-5-6-11-30(24)37)35(44)40-27-10-7-9-23(18-27)34(43)39-26-12-15-29(16-13-26)47(4,45)46/h5-20H,21-22H2,1-4H3,(H,38,42)(H,39,43)(H,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171630 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(=O)Nc1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cn1 Show InChI InChI=1S/C29H30FN5O3/c1-18(36)32-26-12-10-22(16-31-26)34-28(38)25-14-20-13-21(33-27(37)15-29(2,3)4)9-11-24(20)35(25)17-19-7-5-6-8-23(19)30/h5-14,16H,15,17H2,1-4H3,(H,33,37)(H,34,38)(H,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171629 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CNS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cc4cc(NC(=O)CC(C)(C)C)ccc4n3Cc3ccccc3F)c2)cc1 Show InChI InChI=1S/C36H36FN5O5S/c1-36(2,3)21-33(43)39-28-14-17-31-25(19-28)20-32(42(31)22-24-8-5-6-11-30(24)37)35(45)41-27-10-7-9-23(18-27)34(44)40-26-12-15-29(16-13-26)48(46,47)38-4/h5-20,38H,21-22H2,1-4H3,(H,39,43)(H,40,44)(H,41,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171613 (5-(3,3-Dimethyl-butyrylamino)-1-(2-trifluoromethyl...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3C(F)(F)F)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H28F3N3O2/c1-28(2,3)17-26(36)33-22-13-14-24-20(15-22)16-25(27(37)34-21-10-5-4-6-11-21)35(24)18-19-9-7-8-12-23(19)29(30,31)32/h4-16H,17-18H2,1-3H3,(H,33,36)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171615 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccc(N)nc1 Show InChI InChI=1S/C27H28FN5O2/c1-27(2,3)14-25(34)31-19-8-10-22-18(12-19)13-23(26(35)32-20-9-11-24(29)30-15-20)33(22)16-17-6-4-5-7-21(17)28/h4-13,15H,14,16H2,1-3H3,(H2,29,30)(H,31,34)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171643 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cc1 Show InChI InChI=1S/C32H37FN4O4S/c1-5-6-17-42(40,41)36-25-13-11-24(12-14-25)35-31(39)29-19-23-18-26(34-30(38)20-32(2,3)4)15-16-28(23)37(29)21-22-9-7-8-10-27(22)33/h7-16,18-19,36H,5-6,17,20-21H2,1-4H3,(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171628 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CN(C)C(=O)c1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cc1 Show InChI InChI=1S/C31H33FN4O3/c1-31(2,3)18-28(37)33-24-14-15-26-22(16-24)17-27(36(26)19-21-8-6-7-9-25(21)32)29(38)34-23-12-10-20(11-13-23)30(39)35(4)5/h6-17H,18-19H2,1-5H3,(H,33,37)(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171624 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccc(cc1)C(N)=O Show InChI InChI=1S/C29H29FN4O3/c1-29(2,3)16-26(35)32-22-12-13-24-20(14-22)15-25(34(24)17-19-6-4-5-7-23(19)30)28(37)33-21-10-8-18(9-11-21)27(31)36/h4-15H,16-17H2,1-3H3,(H2,31,36)(H,32,35)(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171637 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H28FN3O2/c1-28(2,3)17-26(33)30-22-13-14-24-20(15-22)16-25(27(34)31-21-10-5-4-6-11-21)32(24)18-19-9-7-8-12-23(19)29/h4-16H,17-18H2,1-3H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171612 (5-(2-Bicyclo[2.2.1]hept-2-yl-acetylamino)-1-(2-flu...) Show SMILES Fc1ccccc1Cn1c(cc2cc(NC(=O)CC3CC4CCC3C4)ccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C31H30FN3O2/c32-27-9-5-4-6-22(27)19-35-28-13-12-26(33-30(36)18-23-15-20-10-11-21(23)14-20)16-24(28)17-29(35)31(37)34-25-7-2-1-3-8-25/h1-9,12-13,16-17,20-21,23H,10-11,14-15,18-19H2,(H,33,36)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171631 (4-{[5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benz...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H28FN3O4/c1-29(2,3)16-26(34)31-22-12-13-24-20(14-22)15-25(33(24)17-19-6-4-5-7-23(19)30)27(35)32-21-10-8-18(9-11-21)28(36)37/h4-15H,16-17H2,1-3H3,(H,31,34)(H,32,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171642 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccc(Cl)nc1 Show InChI InChI=1S/C27H26ClFN4O2/c1-27(2,3)14-25(34)31-19-8-10-22-18(12-19)13-23(26(35)32-20-9-11-24(28)30-15-20)33(22)16-17-6-4-5-7-21(17)29/h4-13,15H,14,16H2,1-3H3,(H,31,34)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171632 (1-(2,6-Difluoro-benzyl)-5-(3,3-dimethyl-butyrylami...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3c(F)cccc3F)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H27F2N3O2/c1-28(2,3)16-26(34)31-20-12-13-24-18(14-20)15-25(27(35)32-19-8-5-4-6-9-19)33(24)17-21-22(29)10-7-11-23(21)30/h4-15H,16-17H2,1-3H3,(H,31,34)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171616 (5-(3,3-Dimethyl-thiobutyrylamino)-1-(2-fluoro-benz...) Show SMILES CC(C)(C)CC(=S)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H28FN3OS/c1-28(2,3)17-26(34)30-22-13-14-24-20(15-22)16-25(27(33)31-21-10-5-4-6-11-21)32(24)18-19-9-7-8-12-23(19)29/h4-16H,17-18H2,1-3H3,(H,30,34)(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171640 (5-(4,4-Dimethyl-pentanoylamino)-1-(2-fluoro-benzyl...) Show SMILES CC(C)(C)CCC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H30FN3O2/c1-29(2,3)16-15-27(34)31-23-13-14-25-21(17-23)18-26(28(35)32-22-10-5-4-6-11-22)33(25)19-20-9-7-8-12-24(20)30/h4-14,17-18H,15-16,19H2,1-3H3,(H,31,34)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171638 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C27H27FN4O2/c1-27(2,3)15-25(33)30-20-10-11-23-19(13-20)14-24(26(34)31-21-8-6-12-29-16-21)32(23)17-18-7-4-5-9-22(18)28/h4-14,16H,15,17H2,1-3H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171621 (1-Cyclohexylmethyl-5-(3,3-dimethyl-butyrylamino)-1...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(CC3CCCCC3)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)18-26(32)29-23-14-15-24-21(16-23)17-25(27(33)30-22-12-8-5-9-13-22)31(24)19-20-10-6-4-7-11-20/h5,8-9,12-17,20H,4,6-7,10-11,18-19H2,1-3H3,(H,29,32)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171641 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccc(N)cn1 Show InChI InChI=1S/C27H28FN5O2/c1-27(2,3)14-25(34)31-20-9-10-22-18(12-20)13-23(26(35)32-24-11-8-19(29)15-30-24)33(22)16-17-6-4-5-7-21(17)28/h4-13,15H,14,16,29H2,1-3H3,(H,31,34)(H,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171636 (5-(3,3-Dimethyl-butyrylamino)-1-(2-methyl-thiazol-...) Show SMILES Cc1nc(Cn2c(cc3cc(NC(=O)CC(C)(C)C)ccc23)C(=O)Nc2ccccc2)cs1 Show InChI InChI=1S/C26H28N4O2S/c1-17-27-21(16-33-17)15-30-22-11-10-20(28-24(31)14-26(2,3)4)12-18(22)13-23(30)25(32)29-19-8-6-5-7-9-19/h5-13,16H,14-15H2,1-4H3,(H,28,31)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171622 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1nncs1 Show InChI InChI=1S/C24H24FN5O2S/c1-24(2,3)12-21(31)27-17-8-9-19-16(10-17)11-20(22(32)28-23-29-26-14-33-23)30(19)13-15-6-4-5-7-18(15)25/h4-11,14H,12-13H2,1-3H3,(H,27,31)(H,28,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171625 (5-(3,3-Dimethyl-butyrylamino)-1-(3-methyl-benzyl)-...) Show SMILES Cc1cccc(Cn2c(cc3cc(NC(=O)CC(C)(C)C)ccc23)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C29H31N3O2/c1-20-9-8-10-21(15-20)19-32-25-14-13-24(30-27(33)18-29(2,3)4)16-22(25)17-26(32)28(34)31-23-11-6-5-7-12-23/h5-17H,18-19H2,1-4H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171627 (5-(3,3-Dimethyl-butyrylamino)-1-phenethyl-1H-indol...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(CCc3ccccc3)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H31N3O2/c1-29(2,3)20-27(33)30-24-14-15-25-22(18-24)19-26(28(34)31-23-12-8-5-9-13-23)32(25)17-16-21-10-6-4-7-11-21/h4-15,18-19H,16-17,20H2,1-3H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171617 (5-(3,3-Dimethyl-butyrylamino)-1-phenyl-1H-indole-2...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(c(cc2c1)C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C27H27N3O2/c1-27(2,3)18-25(31)28-21-14-15-23-19(16-21)17-24(30(23)22-12-8-5-9-13-22)26(32)29-20-10-6-4-7-11-20/h4-17H,18H2,1-3H3,(H,28,31)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171619 (5-(2-Cyclopentyl-acetylamino)-1-(2-fluoro-benzyl)-...) Show SMILES Fc1ccccc1Cn1c(cc2cc(NC(=O)CC3CCCC3)ccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H28FN3O2/c30-25-13-7-6-10-21(25)19-33-26-15-14-24(31-28(34)16-20-8-4-5-9-20)17-22(26)18-27(33)29(35)32-23-11-2-1-3-12-23/h1-3,6-7,10-15,17-18,20H,4-5,8-9,16,19H2,(H,31,34)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171639 (5-(2,2-Dimethyl-propane-1-sulfonylamino)-1-(2-fluo...) Show SMILES CC(C)(C)CS(=O)(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C27H28FN3O3S/c1-27(2,3)18-35(33,34)30-22-13-14-24-20(15-22)16-25(26(32)29-21-10-5-4-6-11-21)31(24)17-19-9-7-8-12-23(19)28/h4-16,30H,17-18H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171623 (1-(2-Fluoro-benzyl)-1H-indole-2,5-dicarboxylic aci...) Show SMILES CC(C)(C)CNC(=O)c1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H28FN3O2/c1-28(2,3)18-30-26(33)19-13-14-24-21(15-19)16-25(27(34)31-22-10-5-4-6-11-22)32(24)17-20-9-7-8-12-23(20)29/h4-16H,17-18H2,1-3H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171610 (4-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1cccc2n(Cc3ccccc3F)c(cc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H28FN3O2/c1-28(2,3)17-26(33)31-23-14-9-15-24-21(23)16-25(27(34)30-20-11-5-4-6-12-20)32(24)18-19-10-7-8-13-22(19)29/h4-16H,17-18H2,1-3H3,(H,30,34)(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171634 (CHEMBL193454 | N-[1-(2-Fluoro-benzyl)-2-phenylamin...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(CNc3ccccc3)cc2c1 Show InChI InChI=1S/C28H30FN3O/c1-28(2,3)17-27(33)31-23-13-14-26-21(15-23)16-24(18-30-22-10-5-4-6-11-22)32(26)19-20-9-7-8-12-25(20)29/h4-16,30H,17-19H2,1-3H3,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171618 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)cc(C(=O)Nc3ccccc3)c2c1 Show InChI InChI=1S/C28H28FN3O2/c1-28(2,3)16-26(33)30-21-13-14-25-22(15-21)23(27(34)31-20-10-5-4-6-11-20)18-32(25)17-19-9-7-8-12-24(19)29/h4-15,18H,16-17H2,1-3H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171635 (CHEMBL195182 | N-[1-(2-Fluoro-benzyl)-2-(3-phenyl-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)-c1nc(no1)-c1ccccc1 Show InChI InChI=1S/C29H27FN4O2/c1-29(2,3)17-26(35)31-22-13-14-24-21(15-22)16-25(34(24)18-20-11-7-8-12-23(20)30)28-32-27(33-36-28)19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50171620 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C25H26FN5O2/c1-25(2,3)14-23(32)28-18-8-9-20-17(12-18)13-21(24(33)29-22-10-11-27-30-22)31(20)15-16-6-4-5-7-19(16)26/h4-13H,14-15H2,1-3H3,(H,28,32)(H2,27,29,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
					More data for this Ligand-Target Pair