Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50056078   

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 (RAT)	BDBM50056078 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-indan-5-yl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCCc2c1 Show InChI InChI=1S/C31H42N2O4/c1-4-6-17-32(18-7-5-2)28(34)21-33-20-27(25-12-11-22-9-8-10-24(22)19-25)29(31(35)36)30(33)23-13-15-26(37-3)16-14-23/h11-16,19,27,29-30H,4-10,17-18,20-21H2,1-3H3,(H,35,36)/t27-,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056078 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-indan-5-yl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCCc2c1 Show InChI InChI=1S/C31H42N2O4/c1-4-6-17-32(18-7-5-2)28(34)21-33-20-27(25-12-11-22-9-8-10-24(22)19-25)29(31(35)36)30(33)23-13-15-26(37-3)16-14-23/h11-16,19,27,29-30H,4-10,17-18,20-21H2,1-3H3,(H,35,36)/t27-,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50056078 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-indan-5-yl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCCc2c1 Show InChI InChI=1S/C31H42N2O4/c1-4-6-17-32(18-7-5-2)28(34)21-33-20-27(25-12-11-22-9-8-10-24(22)19-25)29(31(35)36)30(33)23-13-15-26(37-3)16-14-23/h11-16,19,27,29-30H,4-10,17-18,20-21H2,1-3H3,(H,35,36)/t27-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50056078 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-indan-5-yl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCCc2c1 Show InChI InChI=1S/C31H42N2O4/c1-4-6-17-32(18-7-5-2)28(34)21-33-20-27(25-12-11-22-9-8-10-24(22)19-25)29(31(35)36)30(33)23-13-15-26(37-3)16-14-23/h11-16,19,27,29-30H,4-10,17-18,20-21H2,1-3H3,(H,35,36)/t27-,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin B receptor in porcine cerebellar tissue using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair