Compile Data Set for Download or QSAR

Found 8 hits of ec50 data for polymerid = 49000505,49000506   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin receptor type B (RAT)	BDBM50045246 (Ac-D-Dip-Orn-Asp-Ile-Ile-Trp | CHEMBL2370066) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C49H64N8O10/c1-6-28(3)41(46(63)55-38(49(66)67)25-33-27-51-35-22-15-14-21-34(33)35)57-47(64)42(29(4)7-2)56-45(62)37(26-39(59)60)54-44(61)36(23-16-24-50)53-48(65)43(52-30(5)58)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,51H,6-7,16,23-26,50H2,1-5H3,(H,52,58)(H,53,65)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t28-,29-,36-,37-,38-,41-,42-,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Effective concentration against Endothelin B receptor from rat cerebellum				J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50045264 (Ac-D-Dip-Leu-Asp-Val-Ile-Trp | CHEMBL315841) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-46(62)41(28(4)5)55-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,63)(H,55,61)(H,56,62)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Effective concentration against Endothelin B receptor from rat cerebellum				J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50045263 (Ac-D-Dip-Glu-Asp-Ile-Ile-Trp | CHEMBL407269) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C49H61N7O12/c1-6-27(3)41(46(64)54-37(49(67)68)24-32-26-50-34-21-15-14-20-33(32)34)56-47(65)42(28(4)7-2)55-45(63)36(25-39(60)61)53-44(62)35(22-23-38(58)59)52-48(66)43(51-29(5)57)40(30-16-10-8-11-17-30)31-18-12-9-13-19-31/h8-21,26-28,35-37,40-43,50H,6-7,22-25H2,1-5H3,(H,51,57)(H,52,66)(H,53,62)(H,54,64)(H,55,63)(H,56,65)(H,58,59)(H,60,61)(H,67,68)/t27-,28-,35-,36-,37-,41-,42-,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Effective concentration against Endothelin B receptor from rat cerebellum				J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50045224 (Ac-D-Dip-Leu-Phe-Ile-Ile-Trp | CHEMBL387200) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C55H69N7O8/c1-8-34(5)47(52(66)60-45(55(69)70)31-40-32-56-42-28-20-19-27-41(40)42)62-53(67)48(35(6)9-2)61-51(65)44(30-37-21-13-10-14-22-37)58-50(64)43(29-33(3)4)59-54(68)49(57-36(7)63)46(38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-28,32-35,43-49,56H,8-9,29-31H2,1-7H3,(H,57,63)(H,58,64)(H,59,68)(H,60,66)(H,61,65)(H,62,67)(H,69,70)/t34-,35-,43-,44-,45-,47-,48-,49+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Effective concentration against Endothelin B receptor from rat cerebellum				J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50045256 (CHEMBL2370067 | D-Dip-Leu-Asp-Ile-Ile-Trp) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O Show InChI InChI=1S/C48H63N7O8/c1-7-29(5)42(47(62)51-34(27-56)24-33-26-50-36-22-16-15-21-35(33)36)55-48(63)43(30(6)8-2)54-45(60)38(25-39(57)58)52-44(59)37(23-28(3)4)53-46(61)41(49)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-30,34,37-38,40-43,50H,7-8,23-25,49H2,1-6H3,(H,51,62)(H,52,59)(H,53,61)(H,54,60)(H,55,63)(H,57,58)/t29-,30-,34-,37-,38-,41+,42-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Effective concentration against Endothelin B receptor from rat cerebellum				J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50045249 (Ac-D-Dip-Leu-Asp-Ile-Val-Trp | CHEMBL86703) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)55-41(28(4)5)46(62)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,62)(H,55,63)(H,56,61)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Effective concentration against Endothelin B receptor from rat cerebellum				J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50045234 (Ac-D-Dip-Leu-Asp-Ile-Ile-Tyr | CHEMBL313344) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C48H64N6O11/c1-8-28(5)40(45(61)52-37(48(64)65)25-31-20-22-34(56)23-21-31)54-46(62)41(29(6)9-2)53-44(60)36(26-38(57)58)50-43(59)35(24-27(3)4)51-47(63)42(49-30(7)55)39(32-16-12-10-13-17-32)33-18-14-11-15-19-33/h10-23,27-29,35-37,39-42,56H,8-9,24-26H2,1-7H3,(H,49,55)(H,50,59)(H,51,63)(H,52,61)(H,53,60)(H,54,62)(H,57,58)(H,64,65)/t28-,29-,35-,36-,37-,40-,41-,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Effective concentration against Endothelin B receptor from rat cerebellum				J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50044849 (CHEMBL3311308) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human endothelin B receptor expressed in CHO cells by luminescence HTS/summary (Abse5) assay				Bioorg Med Chem Lett 24: 3100-3 (2014) Article DOI: 10.1016/j.bmcl.2014.05.012 BindingDB Entry DOI: 10.7270/Q2CC1292
					More data for this Ligand-Target Pair