BDBM50040298 CHEMBL386478::PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)D2Nal-NH2

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)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc2ccccc2c1)C(N)=O

InChI Key: InChIKey=DXUPPLOLTMOGJN-ASSMSANRSA-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 = 50040298   

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)	BDBM50040298 (CHEMBL386478 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...) 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)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc2ccccc2c1)C(N)=O Show InChI InChI=1S/C61H74N14O8/c1-36(2)54(60(82)70-37(3)56(78)73-52(29-45-32-64-35-68-45)61(83)75-24-12-17-46(75)33-66-49(55(62)77)26-40-20-22-41-15-8-9-16-42(41)25-40)74-57(79)38(4)69-58(80)50(27-43-30-65-48-19-11-10-18-47(43)48)72-59(81)51(28-44-31-63-34-67-44)71-53(76)23-21-39-13-6-5-7-14-39/h5-11,13-16,18-20,22,25,30-32,34-38,46,49-52,54,65-66H,12,17,21,23-24,26-29,33H2,1-4H3,(H2,62,77)(H,63,67)(H,64,68)(H,69,80)(H,70,82)(H,71,76)(H,72,81)(H,73,78)(H,74,79)/t37-,38+,46-,49+,50+,51+,52+,54+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	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)	BDBM50040298 (CHEMBL386478 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...) 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)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc2ccccc2c1)C(N)=O Show InChI InChI=1S/C61H74N14O8/c1-36(2)54(60(82)70-37(3)56(78)73-52(29-45-32-64-35-68-45)61(83)75-24-12-17-46(75)33-66-49(55(62)77)26-40-20-22-41-15-8-9-16-42(41)25-40)74-57(79)38(4)69-58(80)50(27-43-30-65-48-19-11-10-18-47(43)48)72-59(81)51(28-44-31-63-34-67-44)71-53(76)23-21-39-13-6-5-7-14-39/h5-11,13-16,18-20,22,25,30-32,34-38,46,49-52,54,65-66H,12,17,21,23-24,26-29,33H2,1-4H3,(H2,62,77)(H,63,67)(H,64,68)(H,69,80)(H,70,82)(H,71,76)(H,72,81)(H,73,78)(H,74,79)/t37-,38+,46-,49+,50+,51+,52+,54+/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