BDBM50441006 CHEMBL2429987

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)c1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O

InChI Key: InChIKey=NRLYCXMIRNZYJY-DGECIDAOSA-N

Data: 1 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 1 hit for monomerid = 50441006   

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
GRPR (Homo sapiens (Human))	BDBM50441006 (CHEMBL2429987) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)c1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H113FN22O19S/c1-39(2)29-54(98-70(112)50(15-11-12-27-85-68(110)43-16-18-45(79)19-17-43)95-72(114)52(20-23-59(80)102)96-71(113)51-22-25-62(105)91-51)69(111)87-36-63(106)93-58(33-61(82)104)77(119)97-53(21-24-60(81)103)73(115)100-56(31-44-34-86-48-14-10-9-13-47(44)48)74(116)90-42(7)67(109)101-65(41(5)6)78(120)88-37-64(107)92-57(32-46-35-84-38-89-46)76(118)99-55(30-40(3)4)75(117)94-49(66(83)108)26-28-121-8/h9-10,13-14,16-19,34-35,38-42,49-58,65,86H,11-12,15,20-33,36-37H2,1-8H3,(H2,80,102)(H2,81,103)(H2,82,104)(H2,83,108)(H,84,89)(H,85,110)(H,87,111)(H,88,120)(H,90,116)(H,91,105)(H,92,107)(H,93,106)(H,94,117)(H,95,114)(H,96,113)(H,97,119)(H,98,112)(H,99,118)(H,100,115)(H,101,109)/t42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,65-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology (ETH) Zurich Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr4-bombesin from GRP receptor in human PC3 cells				J Med Chem 56: 7552-63 (2013) Article DOI: 10.1021/jm400857f BindingDB Entry DOI: 10.7270/Q2VX0HZF
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