BDBM50382767 CHEMBL2024597

SMILES: Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc3ccccc3n2)cc2cn[nH]c12

InChI Key: InChIKey=VDCXGJLJVRTRJB-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 = 50382767   

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))	BDBM50382767 (CHEMBL2024597) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc3ccccc3n2)cc2cn[nH]c12 Show InChI InChI=1S/C33H32N6O3/c1-21-16-22(17-25-19-34-37-31(21)25)18-30(29-11-10-23-6-2-4-8-27(23)35-29)42-33(41)38-14-12-26(13-15-38)39-20-24-7-3-5-9-28(24)36-32(39)40/h2-11,16-17,19,26,30H,12-15,18,20H2,1H3,(H,34,37)(H,36,40)	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	4.80	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))	BDBM50382767 (CHEMBL2024597) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccc3ccccc3n2)cc2cn[nH]c12 Show InChI InChI=1S/C33H32N6O3/c1-21-16-22(17-25-19-34-37-31(21)25)18-30(29-11-10-23-6-2-4-8-27(23)35-29)42-33(41)38-14-12-26(13-15-38)39-20-24-7-3-5-9-28(24)36-32(39)40/h2-11,16-17,19,26,30H,12-15,18,20H2,1H3,(H,34,37)(H,36,40)	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	1.40	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