null

SMILES: CCCCN(CCC)C(=O)CN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=BSMQWDCPKODFQI-WDDWZANVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50050975   

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-1 receptor (Homo sapiens (Human))	BDBM50050975 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(butyl-propy...) Show SMILES CCCCN(CCC)C(=O)CN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H36N2O6/c1-4-6-14-29(13-5-2)25(31)17-30-16-22(20-9-12-23-24(15-20)36-18-35-23)26(28(32)33)27(30)19-7-10-21(34-3)11-8-19/h7-12,15,22,26-27H,4-6,13-14,16-18H2,1-3H3,(H,32,33)/t22-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Radioligand binding selectivity of the compound to human Endothelin A receptor in chinese hamster ovary cells				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50050975 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(butyl-propy...) Show SMILES CCCCN(CCC)C(=O)CN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H36N2O6/c1-4-6-14-29(13-5-2)25(31)17-30-16-22(20-9-12-23-24(15-20)36-18-35-23)26(28(32)33)27(30)19-7-10-21(34-3)11-8-19/h7-12,15,22,26-27H,4-6,13-14,16-18H2,1-3H3,(H,32,33)/t22-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Radioligand binding selectivity of the compound to human Endothelin B receptor in chinese hamster ovary cells				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50050975 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(butyl-propy...) Show SMILES CCCCN(CCC)C(=O)CN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H36N2O6/c1-4-6-14-29(13-5-2)25(31)17-30-16-22(20-9-12-23-24(15-20)36-18-35-23)26(28(32)33)27(30)19-7-10-21(34-3)11-8-19/h7-12,15,22,26-27H,4-6,13-14,16-18H2,1-3H3,(H,32,33)/t22-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against the Endothelin A receptor of rat MMQ cells				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50050975 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(butyl-propy...) Show SMILES CCCCN(CCC)C(=O)CN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H36N2O6/c1-4-6-14-29(13-5-2)25(31)17-30-16-22(20-9-12-23-24(15-20)36-18-35-23)26(28(32)33)27(30)19-7-10-21(34-3)11-8-19/h7-12,15,22,26-27H,4-6,13-14,16-18H2,1-3H3,(H,32,33)/t22-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity measured against Endothelin B receptor binding to porcine cerebellum				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair