BDBM50441003 CHEMBL2429981

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)C(O)C(O)C(=O)NCCc1ccc(cc1)[Si](F)(C(C)(C)C)C(C)(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=AQPACODANBKUNA-HCHDHZEVSA-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 = 50441003   

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))	BDBM50441003 (CHEMBL2429981) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)C(O)C(O)C(=O)NCCc1ccc(cc1)[Si](F)(C(C)(C)C)C(C)(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C78H124FN19O16Si/c1-43(2)34-55(59(99)38-62(102)92-56(67(81)106)35-44(3)4)95-72(111)58(37-49-40-84-42-89-49)93-63(103)41-98(14)75(114)64(45(5)6)97-68(107)46(7)90-71(110)57(36-48-39-88-52-21-16-15-20-51(48)52)96-70(109)54(28-29-60(80)100)91-61(101)23-17-18-31-85-69(108)53(22-19-32-87-76(82)83)94-74(113)66(105)65(104)73(112)86-33-30-47-24-26-50(27-25-47)115(79,77(8,9)10)78(11,12)13/h15-16,20-21,24-27,39-40,42-46,53-59,64-66,88,99,104-105H,17-19,22-23,28-38,41H2,1-14H3,(H2,80,100)(H2,81,106)(H,84,89)(H,85,108)(H,86,112)(H,90,110)(H,91,101)(H,92,102)(H,93,103)(H,94,113)(H,95,111)(H,96,109)(H,97,107)(H4,82,83,87)/t46-,53-,54-,55-,56-,57-,58-,59-,64-,65?,66?/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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 after 1 hr by gamma-counting analysis				J Med Chem 56: 7552-63 (2013) Article DOI: 10.1021/jm400857f BindingDB Entry DOI: 10.7270/Q2VX0HZF
					More data for this Ligand-Target Pair