BDBM50040304 CHEMBL267943::PhCH2CH2(CO)ThiAla-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cccs1)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](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=WZHTXNNKISXDFL-MGXUWTQHSA-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 = 50040304   

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)	BDBM50040304 (CHEMBL267943 | PhCH2CH2(CO)ThiAla-Trp-Ala-Val-DAla...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cccs1)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](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H72N12O8S/c1-35(2)51(57(77)65-36(3)53(73)68-49(29-41-32-60-34-63-41)58(78)70-25-13-19-42(70)33-62-46(52(59)72)27-39-17-9-6-10-18-39)69-54(74)37(4)64-55(75)47(28-40-31-61-45-22-12-11-21-44(40)45)67-56(76)48(30-43-20-14-26-79-43)66-50(71)24-23-38-15-7-5-8-16-38/h5-12,14-18,20-22,26,31-32,34-37,42,46-49,51,61-62H,13,19,23-25,27-30,33H2,1-4H3,(H2,59,72)(H,60,63)(H,64,75)(H,65,77)(H,66,71)(H,67,76)(H,68,73)(H,69,74)/t36-,37-,42-,46-,47-,48-,49-,51-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60	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
Gastrin releasing peptide receptor (MOUSE)	BDBM50040304 (CHEMBL267943 | PhCH2CH2(CO)ThiAla-Trp-Ala-Val-DAla...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cccs1)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](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H72N12O8S/c1-35(2)51(57(77)65-36(3)53(73)68-49(29-41-32-60-34-63-41)58(78)70-25-13-19-42(70)33-62-46(52(59)72)27-39-17-9-6-10-18-39)69-54(74)37(4)64-55(75)47(28-40-31-61-45-22-12-11-21-44(40)45)67-56(76)48(30-43-20-14-26-79-43)66-50(71)24-23-38-15-7-5-8-16-38/h5-12,14-18,20-22,26,31-32,34-37,42,46-49,51,61-62H,13,19,23-25,27-30,33H2,1-4H3,(H2,59,72)(H,60,63)(H,64,75)(H,65,77)(H,66,71)(H,67,76)(H,68,73)(H,69,74)/t36-,37-,42-,46-,47-,48-,49-,51-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60	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