BDBM50447356 CHEMBL3114465

SMILES: CC(C)(C)CN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1

InChI Key: InChIKey=LELBMSDNPIHKPU-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50447356   

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))	BDBM50447356 (CHEMBL3114465) Show SMILES CC(C)(C)CN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 Show InChI InChI=1S/C29H36N4O3S/c1-29(2,3)19-33-26(35)24(37-27(33)20-9-5-4-6-10-20)17-25(34)31-15-13-22(14-16-31)32-18-21-11-7-8-12-23(21)30-28(32)36/h4-12,22,24,27H,13-19H2,1-3H3,(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...				Bioorg Med Chem Lett 24: 845-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.089 BindingDB Entry DOI: 10.7270/Q2FJ2J84
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50447356 (CHEMBL3114465) Show SMILES CC(C)(C)CN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 Show InChI InChI=1S/C29H36N4O3S/c1-29(2,3)19-33-26(35)24(37-27(33)20-9-5-4-6-10-20)17-25(34)31-15-13-22(14-16-31)32-18-21-11-7-8-12-23(21)30-28(32)36/h4-12,22,24,27H,13-19H2,1-3H3,(H,30,36)	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 30 mins follow...				Bioorg Med Chem Lett 24: 845-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.089 BindingDB Entry DOI: 10.7270/Q2FJ2J84
					More data for this Ligand-Target Pair