BDBM50051394 2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-acetylamino}-3-(2-methyl-1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyric acid::CHEMBL307936

SMILES: CSCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O

InChI Key: InChIKey=XUXCOWLSMHJSSY-OTQGITMZSA-N

Data: 4 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 4 hits for monomerid = 50051394   

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))	BDBM50051394 (2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-p...) Show SMILES CSCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O Show InChI InChI=1S/C30H43N5O5S/c1-17-8-7-9-18(2)35(17)30(40)34-26(20-12-13-20)28(37)33-25(27(36)32-24(29(38)39)14-15-41-4)16-22-19(3)31-23-11-6-5-10-21(22)23/h5-6,10-11,17-18,20,24-26,31H,7-9,12-16H2,1-4H3,(H,32,36)(H,33,37)(H,34,40)(H,38,39)/t17-,18+,24?,25-,26?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Endothelin A receptor in human neuroblastoma-derived cell line SK-N-MC membranes				J Med Chem 39: 2313-30 (1996) Article DOI: 10.1021/jm9600914 BindingDB Entry DOI: 10.7270/Q2XS5W2G
					More data for this Ligand-Target Pair
Endothelin receptor ET-A (Sus scrofa)	BDBM50051394 (2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-p...) Show SMILES CSCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O Show InChI InChI=1S/C30H43N5O5S/c1-17-8-7-9-18(2)35(17)30(40)34-26(20-12-13-20)28(37)33-25(27(36)32-24(29(38)39)14-15-41-4)16-22-19(3)31-23-11-6-5-10-21(22)23/h5-6,10-11,17-18,20,24-26,31H,7-9,12-16H2,1-4H3,(H,32,36)(H,33,37)(H,34,40)(H,38,39)/t17-,18+,24?,25-,26?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in porcine aortic smooth muscle membranes.				J Med Chem 39: 2313-30 (1996) Article DOI: 10.1021/jm9600914 BindingDB Entry DOI: 10.7270/Q2XS5W2G
					More data for this Ligand-Target Pair
Endothelin receptor ET-B (Sus scrofa)	BDBM50051394 (2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-p...) Show SMILES CSCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O Show InChI InChI=1S/C30H43N5O5S/c1-17-8-7-9-18(2)35(17)30(40)34-26(20-12-13-20)28(37)33-25(27(36)32-24(29(38)39)14-15-41-4)16-22-19(3)31-23-11-6-5-10-21(22)23/h5-6,10-11,17-18,20,24-26,31H,7-9,12-16H2,1-4H3,(H,32,36)(H,33,37)(H,34,40)(H,38,39)/t17-,18+,24?,25-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Binding affinity towards endothelin B receptor in porcine cerebellum membranes				J Med Chem 39: 2313-30 (1996) Article DOI: 10.1021/jm9600914 BindingDB Entry DOI: 10.7270/Q2XS5W2G
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50051394 (2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-p...) Show SMILES CSCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O Show InChI InChI=1S/C30H43N5O5S/c1-17-8-7-9-18(2)35(17)30(40)34-26(20-12-13-20)28(37)33-25(27(36)32-24(29(38)39)14-15-41-4)16-22-19(3)31-23-11-6-5-10-21(22)23/h5-6,10-11,17-18,20,24-26,31H,7-9,12-16H2,1-4H3,(H,32,36)(H,33,37)(H,34,40)(H,38,39)/t17-,18+,24?,25-,26?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 Binding affinity towards Endothelin B receptor in human girardi heart cell membranes				J Med Chem 39: 2313-30 (1996) Article DOI: 10.1021/jm9600914 BindingDB Entry DOI: 10.7270/Q2XS5W2G
					More data for this Ligand-Target Pair