BDBM50150398 CHEMBL3769424

SMILES: Cc1ccc(cc1)C1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1

InChI Key: InChIKey=RXIIQYXCMYPPHU-WJOKGBTCSA-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 = 50150398   

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
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human))	BDBM50150398 (CHEMBL3769424) Show SMILES Cc1ccc(cc1)C1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1 |r| Show InChI InChI=1S/C34H46N6O2/c1-24-6-8-27(9-7-24)28-10-16-40(17-11-28)34(42)36-31(22-26-20-25(2)32-29(21-26)23-35-37-32)33(41)39-18-12-30(13-19-39)38-14-4-3-5-15-38/h6-9,20-21,23,28,30-31H,3-5,10-19,22H2,1-2H3,(H,35,37)(H,36,42)/t31-/m1/s1	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Discovery Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from alpha CGRP in human SK-N-MC cells after 2 hrs by scintillation counter				Bioorg Med Chem Lett 26: 1229-32 (2016) BindingDB Entry DOI: 10.7270/Q2NG4SH3
					More data for this Ligand-Target Pair