BDBM50373773 CHEMBL402844

SMILES: COCCn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccccc1

InChI Key: InChIKey=PIOUBGWUUHZQRI-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 = 50373773   

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))	BDBM50373773 (CHEMBL402844) Show SMILES COCCn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccccc1 Show InChI InChI=1S/C26H28N6O4/c1-36-15-14-31-17-19(18-6-3-2-4-7-18)16-21(24(31)33)28-25(34)30-12-9-20(10-13-30)32-22-8-5-11-27-23(22)29-26(32)35/h2-8,11,16-17,20H,9-10,12-15H2,1H3,(H,28,34)(H,27,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	228	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]CGRP from human recombinant CL receptor /RAMP1				Bioorg Med Chem Lett 18: 755-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.042 BindingDB Entry DOI: 10.7270/Q2T43TZ2
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50373773 (CHEMBL402844) Show SMILES COCCn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccccc1 Show InChI InChI=1S/C26H28N6O4/c1-36-15-14-31-17-19(18-6-3-2-4-7-18)16-21(24(31)33)28-25(34)30-12-9-20(10-13-30)32-22-8-5-11-27-23(22)29-26(32)35/h2-8,11,16-17,20H,9-10,12-15H2,1H3,(H,28,34)(H,27,29,35)	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	665	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CL receptor /RAMP1 assessed as inhibition of cAMP accumulation by cell based assay				Bioorg Med Chem Lett 18: 755-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.042 BindingDB Entry DOI: 10.7270/Q2T43TZ2
					More data for this Ligand-Target Pair