BDBM50040310 3-CF3PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2::CHEMBL266535

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)CCc1cccc(c1)C(F)(F)F)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=SWFYCOJFYNBEOD-XUTJKUKESA-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 = 50040310   

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)	BDBM50040310 (3-CF3PhCH2CH2(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)CCc1cccc(c1)C(F)(F)F)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/C58H71F3N14O8/c1-33(2)50(56(82)70-34(3)52(78)73-48(26-41-29-64-32-68-41)57(83)75-21-11-16-42(75)30-66-45(51(62)77)23-36-12-6-5-7-13-36)74-53(79)35(4)69-54(80)46(24-38-27-65-44-18-9-8-17-43(38)44)72-55(81)47(25-40-28-63-31-67-40)71-49(76)20-19-37-14-10-15-39(22-37)58(59,60)61/h5-10,12-15,17-18,22,27-29,31-35,42,45-48,50,65-66H,11,16,19-21,23-26,30H2,1-4H3,(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)/t34-,35+,42-,45+,46+,47+,48+,50+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	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)	BDBM50040310 (3-CF3PhCH2CH2(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)CCc1cccc(c1)C(F)(F)F)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/C58H71F3N14O8/c1-33(2)50(56(82)70-34(3)52(78)73-48(26-41-29-64-32-68-41)57(83)75-21-11-16-42(75)30-66-45(51(62)77)23-36-12-6-5-7-13-36)74-53(79)35(4)69-54(80)46(24-38-27-65-44-18-9-8-17-43(38)44)72-55(81)47(25-40-28-63-31-67-40)71-49(76)20-19-37-14-10-15-39(22-37)58(59,60)61/h5-10,12-15,17-18,22,27-29,31-35,42,45-48,50,65-66H,11,16,19-21,23-26,30H2,1-4H3,(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)/t34-,35+,42-,45+,46+,47+,48+,50+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	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