BDBM50040312 2-tetrahydronaphthyl(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2::CHEMBL386993

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=DBJOKKPCAUHNHB-JHRBEQQCSA-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 = 50040312   

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
Gastrin releasing peptide receptor (MOUSE)	BDBM50040312 (2-tetrahydronaphthyl(CO)His-Trp-Ala-Val-DAla-His-D...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C59H74N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-43-30-62-33-66-43)59(81)73-22-12-17-44(73)31-64-47(52(60)74)23-37-13-6-5-7-14-37)72-54(76)36(4)67-56(78)48(25-41-28-63-46-19-11-10-18-45(41)46)70-57(79)49(26-42-29-61-32-65-42)69-55(77)40-21-20-38-15-8-9-16-39(38)24-40/h5-11,13-16,18-19,28-30,32-36,40,44,47-51,63-64H,12,17,20-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,40?,44-,47+,48+,49+,50+,51+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin releasing peptide receptor (MOUSE)	BDBM50040312 (2-tetrahydronaphthyl(CO)His-Trp-Ala-Val-DAla-His-D...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C59H74N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-43-30-62-33-66-43)59(81)73-22-12-17-44(73)31-64-47(52(60)74)23-37-13-6-5-7-14-37)72-54(76)36(4)67-56(78)48(25-41-28-63-46-19-11-10-18-45(41)46)70-57(79)49(26-42-29-61-32-65-42)69-55(77)40-21-20-38-15-8-9-16-39(38)24-40/h5-11,13-16,18-19,28-30,32-36,40,44,47-51,63-64H,12,17,20-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,40?,44-,47+,48+,49+,50+,51+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0790	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair