null

SMILES: CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(C)C)ccc12

InChI Key: InChIKey=ASYDIUHFIWWNJR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50329844   

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))	BDBM50329844 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(C)C)ccc12 Show InChI InChI=1S/C32H31NO8/c1-4-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18(2)3)14-24(26)30(34)25(29(33)32(37)38)11-19-6-5-7-21(10-19)31(35)36/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer				Bioorg Med Chem Lett 20: 6840-4 (2010) Article DOI: 10.1016/j.bmcl.2010.08.074 BindingDB Entry DOI: 10.7270/Q2X34XPP
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329844 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(C)C)ccc12 Show InChI InChI=1S/C32H31NO8/c1-4-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18(2)3)14-24(26)30(34)25(29(33)32(37)38)11-19-6-5-7-21(10-19)31(35)36/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	713	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329844 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(C)C)ccc12 Show InChI InChI=1S/C32H31NO8/c1-4-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18(2)3)14-24(26)30(34)25(29(33)32(37)38)11-19-6-5-7-21(10-19)31(35)36/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50329844 (3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...) Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(C)C)ccc12 Show InChI InChI=1S/C32H31NO8/c1-4-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18(2)3)14-24(26)30(34)25(29(33)32(37)38)11-19-6-5-7-21(10-19)31(35)36/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from human ETB receptor expressed in membranes				Bioorg Med Chem Lett 20: 6840-4 (2010) Article DOI: 10.1016/j.bmcl.2010.08.074 BindingDB Entry DOI: 10.7270/Q2X34XPP
					More data for this Ligand-Target Pair