BDBM50382784 CHEMBL2022606

SMILES: Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCCC3)ccn2)cc2cn[nH]c12

InChI Key: InChIKey=OATCGYGVXJZTCA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50382784   

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))	BDBM50382784 (CHEMBL2022606) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCCC3)ccn2)cc2cn[nH]c12 Show InChI InChI=1S/C37H42N6O3/c1-25-18-27(19-30-23-39-41-35(25)30)21-34(33-20-26(10-13-38-33)24-42-14-6-2-3-7-15-42)46-37(45)43-16-11-28(12-17-43)31-22-29-8-4-5-9-32(29)40-36(31)44/h4-5,8-10,13,18-20,22-23,28,34H,2-3,6-7,11-12,14-17,21,24H2,1H3,(H,39,41)(H,40,44)	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	0.0420	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				Bioorg Med Chem Lett 22: 2917-21 (2012) Article DOI: 10.1016/j.bmcl.2012.02.065 BindingDB Entry DOI: 10.7270/Q2FQ9XN0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50382784 (CHEMBL2022606) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCCC3)ccn2)cc2cn[nH]c12 Show InChI InChI=1S/C37H42N6O3/c1-25-18-27(19-30-23-39-41-35(25)30)21-34(33-20-26(10-13-38-33)24-42-14-6-2-3-7-15-42)46-37(45)43-16-11-28(12-17-43)31-22-29-8-4-5-9-32(29)40-36(31)44/h4-5,8-10,13,18-20,22-23,28,34H,2-3,6-7,11-12,14-17,21,24H2,1H3,(H,39,41)(H,40,44)	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	0.0950	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting				Bioorg Med Chem Lett 22: 2917-21 (2012) Article DOI: 10.1016/j.bmcl.2012.02.065 BindingDB Entry DOI: 10.7270/Q2FQ9XN0
					More data for this Ligand-Target Pair