BDBM50150345 CHEMBL3770044

SMILES: Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccccc2F)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=OFDKZSATXPHXCO-MUUNZHRXSA-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 = 50150345   

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))	BDBM50150345 (CHEMBL3770044) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccccc2F)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C32H42FN7O2/c1-23-19-24(20-25-22-34-36-30(23)25)21-28(31(41)39-13-9-26(10-14-39)37-11-5-2-6-12-37)35-32(42)40-17-15-38(16-18-40)29-8-4-3-7-27(29)33/h3-4,7-8,19-20,22,26,28H,2,5-6,9-18,21H2,1H3,(H,34,36)(H,35,42)/t28-/m1/s1	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	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