BDBM50382779 CHEMBL2022601

SMILES: Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12

InChI Key: InChIKey=SLKTUVPPNJWTAB-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 = 50382779   

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))	BDBM50382779 (CHEMBL2022601) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12 Show InChI InChI=1S/C35H41N7O3/c1-24-17-26(18-28-21-37-39-33(24)28)20-32(31-19-25(9-12-36-31)22-40-13-5-2-6-14-40)45-35(44)41-15-10-29(11-16-41)42-23-27-7-3-4-8-30(27)38-34(42)43/h3-4,7-9,12,17-19,21,29,32H,2,5-6,10-11,13-16,20,22-23H2,1H3,(H,37,39)(H,38,43)	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	0.0200	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))	BDBM50382779 (CHEMBL2022601) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12 Show InChI InChI=1S/C35H41N7O3/c1-24-17-26(18-28-21-37-39-33(24)28)20-32(31-19-25(9-12-36-31)22-40-13-5-2-6-14-40)45-35(44)41-15-10-29(11-16-41)42-23-27-7-3-4-8-30(27)38-34(42)43/h3-4,7-9,12,17-19,21,29,32H,2,5-6,10-11,13-16,20,22-23H2,1H3,(H,37,39)(H,38,43)	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	0.100	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