Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50029351   

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)	BDBM50029351 (CHEMBL342615 | [(5R,8S,11R,14S,16aR)-8-(1H-Indol-3...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C Show InChI InChI=1S/C30H42N6O8S/c1-16(2)12-21-26(37)32-22(13-18-14-31-20-9-6-5-8-19(18)20)27(38)34-23(15-45(42,43)44)30(41)36-11-7-10-24(36)28(39)35-25(17(3)4)29(40)33-21/h5-6,8-9,14,16-17,21-25,31H,7,10-13,15H2,1-4H3,(H,32,37)(H,33,40)(H,34,38)(H,35,39)(H,42,43,44)/t21-,22+,23+,24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description The compound was tested for binding inhibitory activity against Endothelin A receptor from porcine aortic smooth muscle membranes.				J Med Chem 38: 4309-24 (1995) BindingDB Entry DOI: 10.7270/Q2D50M0H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50029351 (CHEMBL342615 | [(5R,8S,11R,14S,16aR)-8-(1H-Indol-3...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C Show InChI InChI=1S/C30H42N6O8S/c1-16(2)12-21-26(37)32-22(13-18-14-31-20-9-6-5-8-19(18)20)27(38)34-23(15-45(42,43)44)30(41)36-11-7-10-24(36)28(39)35-25(17(3)4)29(40)33-21/h5-6,8-9,14,16-17,21-25,31H,7,10-13,15H2,1-4H3,(H,32,37)(H,33,40)(H,34,38)(H,35,39)(H,42,43,44)/t21-,22+,23+,24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory effect of the compound against porcine Endothelin A receptor				J Med Chem 38: 4309-24 (1995) BindingDB Entry DOI: 10.7270/Q2D50M0H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50029351 (CHEMBL342615 | [(5R,8S,11R,14S,16aR)-8-(1H-Indol-3...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C Show InChI InChI=1S/C30H42N6O8S/c1-16(2)12-21-26(37)32-22(13-18-14-31-20-9-6-5-8-19(18)20)27(38)34-23(15-45(42,43)44)30(41)36-11-7-10-24(36)28(39)35-25(17(3)4)29(40)33-21/h5-6,8-9,14,16-17,21-25,31H,7,10-13,15H2,1-4H3,(H,32,37)(H,33,40)(H,34,38)(H,35,39)(H,42,43,44)/t21-,22+,23+,24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory effect of the compound against Human Endothelin A receptor				J Med Chem 38: 4309-24 (1995) BindingDB Entry DOI: 10.7270/Q2D50M0H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50029351 (CHEMBL342615 | [(5R,8S,11R,14S,16aR)-8-(1H-Indol-3...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C Show InChI InChI=1S/C30H42N6O8S/c1-16(2)12-21-26(37)32-22(13-18-14-31-20-9-6-5-8-19(18)20)27(38)34-23(15-45(42,43)44)30(41)36-11-7-10-24(36)28(39)35-25(17(3)4)29(40)33-21/h5-6,8-9,14,16-17,21-25,31H,7,10-13,15H2,1-4H3,(H,32,37)(H,33,40)(H,34,38)(H,35,39)(H,42,43,44)/t21-,22+,23+,24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory effect of the compound against porcine Endothelin B receptor				J Med Chem 38: 4309-24 (1995) BindingDB Entry DOI: 10.7270/Q2D50M0H
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50029351 (CHEMBL342615 | [(5R,8S,11R,14S,16aR)-8-(1H-Indol-3...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C Show InChI InChI=1S/C30H42N6O8S/c1-16(2)12-21-26(37)32-22(13-18-14-31-20-9-6-5-8-19(18)20)27(38)34-23(15-45(42,43)44)30(41)36-11-7-10-24(36)28(39)35-25(17(3)4)29(40)33-21/h5-6,8-9,14,16-17,21-25,31H,7,10-13,15H2,1-4H3,(H,32,37)(H,33,40)(H,34,38)(H,35,39)(H,42,43,44)/t21-,22+,23+,24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory effect of the compound against Human Endothelin B receptor				J Med Chem 38: 4309-24 (1995) BindingDB Entry DOI: 10.7270/Q2D50M0H
					More data for this Ligand-Target Pair