BDBM50287883 CHEMBL412003::Suc-Glu-Ala-Gly-Tyr-Phe-Ala-His-Leu-Asp-lle-lle-Trp-COOH

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](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=LKQQSXVZKCVUJP-LOQQYVSOSA-N

Data: 2 KI

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 = 50287883   

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-B (Sus scrofa)	BDBM50287883 (CHEMBL412003 | Suc-Glu-Ala-Gly-Tyr-Phe-Ala-His-Leu...) 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](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C74H99N15O21/c1-9-39(5)62(72(107)87-56(74(109)110)31-45-34-76-49-19-15-14-18-48(45)49)89-73(108)63(40(6)10-2)88-71(106)55(33-61(97)98)86-68(103)51(28-38(3)4)84-70(105)54(32-46-35-75-37-78-46)83-65(100)42(8)80-67(102)53(29-43-16-12-11-13-17-43)85-69(104)52(30-44-20-22-47(90)23-21-44)82-58(92)36-77-64(99)41(7)79-66(101)50(24-26-59(93)94)81-57(91)25-27-60(95)96/h11-23,34-35,37-42,50-56,62-63,76,90H,9-10,24-33,36H2,1-8H3,(H,75,78)(H,77,99)(H,79,101)(H,80,102)(H,81,91)(H,82,92)(H,83,100)(H,84,105)(H,85,104)(H,86,103)(H,87,107)(H,88,106)(H,89,108)(H,93,94)(H,95,96)(H,97,98)(H,109,110)/t39-,40-,41-,42+,50-,51-,52-,53-,54-,55-,56-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin receptor ET-A (Sus scrofa)	BDBM50287883 (CHEMBL412003 | Suc-Glu-Ala-Gly-Tyr-Phe-Ala-His-Leu...) 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](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C74H99N15O21/c1-9-39(5)62(72(107)87-56(74(109)110)31-45-34-76-49-19-15-14-18-48(45)49)89-73(108)63(40(6)10-2)88-71(106)55(33-61(97)98)86-68(103)51(28-38(3)4)84-70(105)54(32-46-35-75-37-78-46)83-65(100)42(8)80-67(102)53(29-43-16-12-11-13-17-43)85-69(104)52(30-44-20-22-47(90)23-21-44)82-58(92)36-77-64(99)41(7)79-66(101)50(24-26-59(93)94)81-57(91)25-27-60(95)96/h11-23,34-35,37-42,50-56,62-63,76,90H,9-10,24-33,36H2,1-8H3,(H,75,78)(H,77,99)(H,79,101)(H,80,102)(H,81,91)(H,82,92)(H,83,100)(H,84,105)(H,85,104)(H,86,103)(H,87,107)(H,88,106)(H,89,108)(H,93,94)(H,95,96)(H,97,98)(H,109,110)/t39-,40-,41-,42+,50-,51-,52-,53-,54-,55-,56-,62-,63-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair