BDBM50150460 CHEMBL3770927

SMILES: CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1

InChI Key: InChIKey=YKBPJLKHVTYMGB-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 = 50150460   

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))	BDBM50150460 (CHEMBL3770927) Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1 |r| Show InChI InChI=1S/C35H47N7O4/c1-3-46-34(44)27-7-9-29(10-8-27)40-17-19-42(20-18-40)35(45)37-31(23-26-21-25(2)32-28(22-26)24-36-38-32)33(43)41-15-11-30(12-16-41)39-13-5-4-6-14-39/h7-10,21-22,24,30-31H,3-6,11-20,23H2,1-2H3,(H,36,38)(H,37,45)/t31-/m1/s1	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	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