BDBM50447358 CHEMBL3114463

SMILES: O=C(CC1SC(N(C2CCCCC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O

InChI Key: InChIKey=JNNBEMMIPWPORE-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 = 50447358   

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))	BDBM50447358 (CHEMBL3114463) Show SMILES O=C(CC1SC(N(C2CCCCC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O Show InChI InChI=1S/C30H36N4O3S/c35-27(32-17-15-23(16-18-32)33-20-22-11-7-8-14-25(22)31-30(33)37)19-26-28(36)34(24-12-5-2-6-13-24)29(38-26)21-9-3-1-4-10-21/h1,3-4,7-11,14,23-24,26,29H,2,5-6,12-13,15-20H2,(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	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))	BDBM50447358 (CHEMBL3114463) Show SMILES O=C(CC1SC(N(C2CCCCC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O Show InChI InChI=1S/C30H36N4O3S/c35-27(32-17-15-23(16-18-32)33-20-22-11-7-8-14-25(22)31-30(33)37)19-26-28(36)34(24-12-5-2-6-13-24)29(38-26)21-9-3-1-4-10-21/h1,3-4,7-11,14,23-24,26,29H,2,5-6,12-13,15-20H2,(H,31,37)	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	710	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