BDBM50441045 CHEMBL2430167

SMILES: Cc1cc(Cn2ccnc2C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)cc(Cl)n1

InChI Key: InChIKey=VPVMAWOPPJSTCZ-UHFFFAOYSA-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 = 50441045   

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 type 1 receptor (Homo sapiens (Human))	BDBM50441045 (CHEMBL2430167) Show SMILES Cc1cc(Cn2ccnc2C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)cc(Cl)n1 Show InChI InChI=1S/C34H36ClN9O2/c1-21-13-23(15-26-18-37-41-31(21)26)16-29(32-36-9-12-43(32)19-24-14-22(2)38-30(35)17-24)40-33(45)42-10-7-27(8-11-42)44-20-25-5-3-4-6-28(25)39-34(44)46/h3-6,9,12-15,17-18,27,29H,7-8,10-11,16,19-20H2,1-2H3,(H,37,41)(H,39,46)(H,40,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0780	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				Bioorg Med Chem Lett 23: 5684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.031 BindingDB Entry DOI: 10.7270/Q2BZ67H8
					More data for this Ligand-Target Pair