BDBM50441004 CHEMBL2429980

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](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)Cc1ccc(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=AWRRPXCDZLONPG-NHFVCARZSA-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 = 50441004   

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))	BDBM50441004 (CHEMBL2429980) 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](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)Cc1ccc(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/C74H115FN16O20S2Si/c1-41(2)29-52(58(92)34-62(96)84-53(65(77)98)30-42(3)4)87-70(103)55(33-47-36-78-40-81-47)85-63(97)37-91(14)72(105)64(43(5)6)90-66(99)44(7)82-69(102)54(32-46-35-80-50-20-16-15-19-49(46)50)88-68(101)51(26-27-59(76)93)83-60(94)21-17-18-28-79-67(100)56(38-112(106,107)108)89-71(104)57(39-113(109,110)111)86-61(95)31-45-22-24-48(25-23-45)114(75,73(8,9)10)74(11,12)13/h15-16,19-20,22-25,35-36,40-44,51-58,64,80,92H,17-18,21,26-34,37-39H2,1-14H3,(H2,76,93)(H2,77,98)(H,78,81)(H,79,100)(H,82,102)(H,83,94)(H,84,96)(H,85,97)(H,86,95)(H,87,103)(H,88,101)(H,89,104)(H,90,99)(H,106,107,108)(H,109,110,111)/t44-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	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 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