BDBM50447364 CHEMBL3114457

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

InChI Key: InChIKey=RTTGRSJIYOWQBV-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 = 50447364   

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))	BDBM50447364 (CHEMBL3114457) Show SMILES CC(C)CN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 Show InChI InChI=1S/C28H34N4O3S/c1-19(2)17-32-26(34)24(36-27(32)20-8-4-3-5-9-20)16-25(33)30-14-12-22(13-15-30)31-18-21-10-6-7-11-23(21)29-28(31)35/h3-11,19,22,24,27H,12-18H2,1-2H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	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))	BDBM50447364 (CHEMBL3114457) Show SMILES CC(C)CN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 Show InChI InChI=1S/C28H34N4O3S/c1-19(2)17-32-26(34)24(36-27(32)20-8-4-3-5-9-20)16-25(33)30-14-12-22(13-15-30)31-18-21-10-6-7-11-23(21)29-28(31)35/h3-11,19,22,24,27H,12-18H2,1-2H3,(H,29,35)	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	370	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