BDBM50356295 CHEMBL1910950

SMILES: CC(C)(C)NC(=O)CNC(=O)c1nc(cc(Br)c1O)N1CCCCS1(=O)=O

InChI Key: InChIKey=XZWCZJDYAYCIRW-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 = 50356295   

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 (CGRP alpha) (Homo sapiens (Human))	BDBM50356295 (CHEMBL1910950) Show SMILES CC(C)(C)NC(=O)CNC(=O)c1nc(cc(Br)c1O)N1CCCCS1(=O)=O Show InChI InChI=1S/C16H23BrN4O5S/c1-16(2,3)20-12(22)9-18-15(24)13-14(23)10(17)8-11(19-13)21-6-4-5-7-27(21,25)26/h8,23H,4-7,9H2,1-3H3,(H,18,24)(H,20,22)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay				Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human))	BDBM50356295 (CHEMBL1910950) Show SMILES CC(C)(C)NC(=O)CNC(=O)c1nc(cc(Br)c1O)N1CCCCS1(=O)=O Show InChI InChI=1S/C16H23BrN4O5S/c1-16(2,3)20-12(22)9-18-15(24)13-14(23)10(17)8-11(19-13)21-6-4-5-7-27(21,25)26/h8,23H,4-7,9H2,1-3H3,(H,18,24)(H,20,22)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production after 1 hr				Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25
					More data for this Ligand-Target Pair