BDBM50040308 2-aminoPhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2::CHEMBL438279

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)Cc1ccccc1N)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=AURTUBUPDMMPRJ-HNHGRBGCSA-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 = 50040308   

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)	BDBM50040308 (2-aminoPhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...) 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)Cc1ccccc1N)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/C56H71N15O8/c1-32(2)49(55(78)66-33(3)51(74)69-47(25-39-28-60-31-64-39)56(79)71-20-12-16-40(71)29-62-44(50(58)73)21-35-13-6-5-7-14-35)70-52(75)34(4)65-53(76)45(22-37-26-61-43-19-11-9-17-41(37)43)68-54(77)46(24-38-27-59-30-63-38)67-48(72)23-36-15-8-10-18-42(36)57/h5-11,13-15,17-19,26-28,30-34,40,44-47,49,61-62H,12,16,20-25,29,57H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t33-,34+,40-,44+,45+,46+,47+,49+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	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)	BDBM50040308 (2-aminoPhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...) 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)Cc1ccccc1N)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/C56H71N15O8/c1-32(2)49(55(78)66-33(3)51(74)69-47(25-39-28-60-31-64-39)56(79)71-20-12-16-40(71)29-62-44(50(58)73)21-35-13-6-5-7-14-35)70-52(75)34(4)65-53(76)45(22-37-26-61-43-19-11-9-17-41(37)43)68-54(77)46(24-38-27-59-30-63-38)67-48(72)23-36-15-8-10-18-42(36)57/h5-11,13-15,17-19,26-28,30-34,40,44-47,49,61-62H,12,16,20-25,29,57H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t33-,34+,40-,44+,45+,46+,47+,49+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	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