BDBM50356296 CHEMBL1910951

SMILES: Oc1c(Br)cc(nc1C(=O)NCC(=O)NC1CCC1)N1CCCCS1(=O)=O

InChI Key: InChIKey=UPGSIKLRTXBKFQ-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 = 50356296   

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))	BDBM50356296 (CHEMBL1910951) Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC1CCC1)N1CCCCS1(=O)=O Show InChI InChI=1S/C16H21BrN4O5S/c17-11-8-12(21-6-1-2-7-27(21,25)26)20-14(15(11)23)16(24)18-9-13(22)19-10-4-3-5-10/h8,10,23H,1-7,9H2,(H,18,24)(H,19,22)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	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))	BDBM50356296 (CHEMBL1910951) Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC1CCC1)N1CCCCS1(=O)=O Show InChI InChI=1S/C16H21BrN4O5S/c17-11-8-12(21-6-1-2-7-27(21,25)26)20-14(15(11)23)16(24)18-9-13(22)19-10-4-3-5-10/h8,10,23H,1-7,9H2,(H,18,24)(H,19,22)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	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