BDBM50045249 Ac-D-Dip-Leu-Asp-Ile-Val-Trp::CHEMBL86703

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=RVWZNRWHSOBHCH-YSMMXTGPSA-N

Data: 2 EC50

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 = 50045249   

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 (RAT)	BDBM50045249 (Ac-D-Dip-Leu-Asp-Ile-Val-Trp | CHEMBL86703) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)55-41(28(4)5)46(62)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,62)(H,55,63)(H,56,61)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Effective concentration against Endothelin B receptor from rat cerebellum				J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50045249 (Ac-D-Dip-Leu-Asp-Ile-Val-Trp | CHEMBL86703) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)55-41(28(4)5)46(62)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,62)(H,55,63)(H,56,61)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells				J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K
					More data for this Ligand-Target Pair