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SMILES: CC(C)CC(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](Cc1cnc[nH]1)NC(C)=O)C(C)C

InChI Key: InChIKey=JGQPGEPONHIXKJ-QFJONTTISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50012313   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Gastrin-releasing peptide receptor


(MOUSE)
BDBM50012313
PNG
(2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio...)
Show SMILES CC(C)CC(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](Cc1cnc[nH]1)NC(C)=O)C(C)C
Show InChI InChI=1S/C44H64N12O7/c1-24(2)13-30(14-25(3)4)53-42(61)37(17-32-20-46-23-50-32)54-38(58)21-48-44(63)39(26(5)6)56-40(59)27(7)51-41(60)35(15-29-18-47-34-12-10-9-11-33(29)34)55-43(62)36(52-28(8)57)16-31-19-45-22-49-31/h9-12,18-20,22-27,30,35-37,39,47H,13-17,21H2,1-8H3,(H,45,49)(H,46,50)(H,48,63)(H,51,60)(H,52,57)(H,53,61)(H,54,58)(H,55,62)(H,56,59)/t27-,35-,36-,37-,39-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for mitogenic inhibition against Swiss 3T3 murine fibroblast cells.


J Med Chem 34: 2102-7 (1991)


BindingDB Entry DOI: 10.7270/Q2X63KXB
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(MOUSE)
BDBM50012313
PNG
(2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio...)
Show SMILES CC(C)CC(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](Cc1cnc[nH]1)NC(C)=O)C(C)C
Show InChI InChI=1S/C44H64N12O7/c1-24(2)13-30(14-25(3)4)53-42(61)37(17-32-20-46-23-50-32)54-38(58)21-48-44(63)39(26(5)6)56-40(59)27(7)51-41(60)35(15-29-18-47-34-12-10-9-11-33(29)34)55-43(62)36(52-28(8)57)16-31-19-45-22-49-31/h9-12,18-20,22-27,30,35-37,39,47H,13-17,21H2,1-8H3,(H,45,49)(H,46,50)(H,48,63)(H,51,60)(H,52,57)(H,53,61)(H,54,58)(H,55,62)(H,56,59)/t27-,35-,36-,37-,39-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for mitogenic inhibition against Swiss 3T3 murine fibroblast cells.


J Med Chem 34: 2102-7 (1991)


BindingDB Entry DOI: 10.7270/Q2X63KXB
More data for this
Ligand-Target Pair