BDBM50447359 CHEMBL3114462

SMILES: CC(N1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1)c1ccccc1

InChI Key: InChIKey=NCLYJGNKSYQUPZ-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 = 50447359   

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))	BDBM50447359 (CHEMBL3114462) Show SMILES CC(N1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H34N4O3S/c1-22(23-10-4-2-5-11-23)36-30(38)28(40-31(36)24-12-6-3-7-13-24)20-29(37)34-18-16-26(17-19-34)35-21-25-14-8-9-15-27(25)33-32(35)39/h2-15,22,26,28,31H,16-21H2,1H3,(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	297	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))	BDBM50447359 (CHEMBL3114462) Show SMILES CC(N1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H34N4O3S/c1-22(23-10-4-2-5-11-23)36-30(38)28(40-31(36)24-12-6-3-7-13-24)20-29(37)34-18-16-26(17-19-34)35-21-25-14-8-9-15-27(25)33-32(35)39/h2-15,22,26,28,31H,16-21H2,1H3,(H,33,39)	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	940	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