BDBM50447354 CHEMBL3114467

SMILES: Fc1ccc(CN2C(SC(CC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C2=O)c2ccccc2)cc1

InChI Key: InChIKey=UTHVZNJMQCOYRT-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 = 50447354   

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))	BDBM50447354 (CHEMBL3114467) Show SMILES Fc1ccc(CN2C(SC(CC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C2=O)c2ccccc2)cc1 Show InChI InChI=1S/C31H31FN4O3S/c32-24-12-10-21(11-13-24)19-36-29(38)27(40-30(36)22-6-2-1-3-7-22)18-28(37)34-16-14-25(15-17-34)35-20-23-8-4-5-9-26(23)33-31(35)39/h1-13,25,27,30H,14-20H2,(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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))	BDBM50447354 (CHEMBL3114467) Show SMILES Fc1ccc(CN2C(SC(CC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C2=O)c2ccccc2)cc1 Show InChI InChI=1S/C31H31FN4O3S/c32-24-12-10-21(11-13-24)19-36-29(38)27(40-30(36)22-6-2-1-3-7-22)18-28(37)34-16-14-25(15-17-34)35-20-23-8-4-5-9-26(23)33-31(35)39/h1-13,25,27,30H,14-20H2,(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	750	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