BDBM50051407 2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-3-methyl-butyrylamino}-propionylamino)-hexanoic acid::CHEMBL306171

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

InChI Key: InChIKey=MJDJSBBTKHWARA-JIJGDNSHSA-N

Data: 2 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 2 hits for monomerid = 50051407   

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 receptor ET-A (Sus scrofa)	BDBM50051407 (2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2...) Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O Show InChI InChI=1S/C30H44ClN5O5/c1-6-7-14-23(29(39)40)33-27(37)24(16-21-20-13-8-9-15-22(20)32-26(21)31)34-28(38)25(17(2)3)35-30(41)36-18(4)11-10-12-19(36)5/h8-9,13,15,17-19,23-25,32H,6-7,10-12,14,16H2,1-5H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,23?,24-,25?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	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)	BDBM50051407 (2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2...) Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O Show InChI InChI=1S/C30H44ClN5O5/c1-6-7-14-23(29(39)40)33-27(37)24(16-21-20-13-8-9-15-22(20)32-26(21)31)34-28(38)25(17(2)3)35-30(41)36-18(4)11-10-12-19(36)5/h8-9,13,15,17-19,23-25,32H,6-7,10-12,14,16H2,1-5H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,23?,24-,25?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	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