BDBM50150399 CHEMBL3770696

SMILES: Cc1ccccc1C1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1

InChI Key: InChIKey=LOTFHPIYFJFAKX-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 = 50150399   

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))	BDBM50150399 (CHEMBL3770696) Show SMILES Cc1ccccc1C1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1 |r| Show InChI InChI=1S/C34H46N6O2/c1-24-8-4-5-9-30(24)27-10-16-40(17-11-27)34(42)36-31(22-26-20-25(2)32-28(21-26)23-35-37-32)33(41)39-18-12-29(13-19-39)38-14-6-3-7-15-38/h4-5,8-9,20-21,23,27,29,31H,3,6-7,10-19,22H2,1-2H3,(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	170	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