Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50029051   

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-1 receptor (Sus scrofa)	BDBM50280989 (2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...) Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34| Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its ability to inhibit the binding of [125I]-ET-1 to the Endothelin A receptor in porcine thoracic aorta membranes.				Bioorg Med Chem Lett 3: 2099-2104 (1993) Article DOI: 10.1016/S0960-894X(01)81025-8 BindingDB Entry DOI: 10.7270/Q2DV1JS8
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50280989 (2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...) Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34| Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its ability to inhibit the binding of [125I]-ET-1 to the Endothelin B receptor in rat cerebellum membranes.				Bioorg Med Chem Lett 3: 2099-2104 (1993) Article DOI: 10.1016/S0960-894X(01)81025-8 BindingDB Entry DOI: 10.7270/Q2DV1JS8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50280990 (2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...) Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34| Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	422	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against Endothelin A receptor				Bioorg Med Chem Lett 3: 2099-2104 (1993) Article DOI: 10.1016/S0960-894X(01)81025-8 BindingDB Entry DOI: 10.7270/Q2DV1JS8
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S (Rattus norvegicus-RAT)	BDBM50280989 (2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...) Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34| Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	592	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]PN-200-110 binding to L-type calcium channels in rat cortex membranes.				Bioorg Med Chem Lett 3: 2099-2104 (1993) Article DOI: 10.1016/S0960-894X(01)81025-8 BindingDB Entry DOI: 10.7270/Q2DV1JS8
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50280990 (2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...) Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34| Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against Endothelin B receptor				Bioorg Med Chem Lett 3: 2099-2104 (1993) Article DOI: 10.1016/S0960-894X(01)81025-8 BindingDB Entry DOI: 10.7270/Q2DV1JS8
					More data for this Ligand-Target Pair