BDBM50029354 CHEMBL133257::[(5S,8S,11R,14S,16aR)-14-Cyclopentyl-8-(1H-indol-3-ylmethyl)-11-isobutyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-acetic acid

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C1CCCC1

InChI Key: InChIKey=BVAWPBTZOQZBSS-YTZVEHKTSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50029354   

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
EDNRB (Homo sapiens (Human))	BDBM50029354 (CHEMBL133257 | [(5S,8S,11R,14S,16aR)-14-Cyclopenty...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C1CCCC1 Show InChI InChI=1S/C33H44N6O7/c1-18(2)14-23-29(42)35-24(15-20-17-34-22-11-6-5-10-21(20)22)30(43)37-25(16-27(40)41)33(46)39-13-7-12-26(39)31(44)38-28(32(45)36-23)19-8-3-4-9-19/h5-6,10-11,17-19,23-26,28,34H,3-4,7-9,12-16H2,1-2H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)/t23-,24+,25+,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+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 Human 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 ET-B (Sus scrofa)	BDBM50029354 (CHEMBL133257 | [(5S,8S,11R,14S,16aR)-14-Cyclopenty...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C1CCCC1 Show InChI InChI=1S/C33H44N6O7/c1-18(2)14-23-29(42)35-24(15-20-17-34-22-11-6-5-10-21(20)22)30(43)37-25(16-27(40)41)33(46)39-13-7-12-26(39)31(44)38-28(32(45)36-23)19-8-3-4-9-19/h5-6,10-11,17-19,23-26,28,34H,3-4,7-9,12-16H2,1-2H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)/t23-,24+,25+,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	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 ET-A (Sus scrofa)	BDBM50029354 (CHEMBL133257 | [(5S,8S,11R,14S,16aR)-14-Cyclopenty...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C1CCCC1 Show InChI InChI=1S/C33H44N6O7/c1-18(2)14-23-29(42)35-24(15-20-17-34-22-11-6-5-10-21(20)22)30(43)37-25(16-27(40)41)33(46)39-13-7-12-26(39)31(44)38-28(32(45)36-23)19-8-3-4-9-19/h5-6,10-11,17-19,23-26,28,34H,3-4,7-9,12-16H2,1-2H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)/t23-,24+,25+,26-,28+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	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 receptor ET-A (Sus scrofa)	BDBM50029354 (CHEMBL133257 | [(5S,8S,11R,14S,16aR)-14-Cyclopenty...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C1CCCC1 Show InChI InChI=1S/C33H44N6O7/c1-18(2)14-23-29(42)35-24(15-20-17-34-22-11-6-5-10-21(20)22)30(43)37-25(16-27(40)41)33(46)39-13-7-12-26(39)31(44)38-28(32(45)36-23)19-8-3-4-9-19/h5-6,10-11,17-19,23-26,28,34H,3-4,7-9,12-16H2,1-2H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)/t23-,24+,25+,26-,28+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	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 ET-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))	BDBM50029354 (CHEMBL133257 | [(5S,8S,11R,14S,16aR)-14-Cyclopenty...) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C1CCCC1 Show InChI InChI=1S/C33H44N6O7/c1-18(2)14-23-29(42)35-24(15-20-17-34-22-11-6-5-10-21(20)22)30(43)37-25(16-27(40)41)33(46)39-13-7-12-26(39)31(44)38-28(32(45)36-23)19-8-3-4-9-19/h5-6,10-11,17-19,23-26,28,34H,3-4,7-9,12-16H2,1-2H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)/t23-,24+,25+,26-,28+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	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 ET-A receptor				J Med Chem 38: 4309-24 (1995) BindingDB Entry DOI: 10.7270/Q2D50M0H
					More data for this Ligand-Target Pair