BDBM50382763 CHEMBL2024593

SMILES: Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12

InChI Key: InChIKey=XCCHLDYKKZLVEC-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 = 50382763   

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))	BDBM50382763 (CHEMBL2024593) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12 Show InChI InChI=1S/C29H30N6O3/c1-19-14-20(15-22-17-31-33-27(19)22)16-26(25-8-4-5-11-30-25)38-29(37)34-12-9-23(10-13-34)35-18-21-6-2-3-7-24(21)32-28(35)36/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,33)(H,32,36)	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	1.90	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))	BDBM50382763 (CHEMBL2024593) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2cn[nH]c12 Show InChI InChI=1S/C29H30N6O3/c1-19-14-20(15-22-17-31-33-27(19)22)16-26(25-8-4-5-11-30-25)38-29(37)34-12-9-23(10-13-34)35-18-21-6-2-3-7-24(21)32-28(35)36/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,33)(H,32,36)	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	1.5	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