BDBM50373774 CHEMBL257731

SMILES: Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccsc1

InChI Key: InChIKey=IXTJFQPCKLOPDZ-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 = 50373774   

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))	BDBM50373774 (CHEMBL257731) Show SMILES Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccsc1 Show InChI InChI=1S/C22H22N6O3S/c1-26-12-15(14-6-10-32-13-14)11-17(20(26)29)24-21(30)27-8-4-16(5-9-27)28-18-3-2-7-23-19(18)25-22(28)31/h2-3,6-7,10-13,16H,4-5,8-9H2,1H3,(H,24,30)(H,23,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	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))	BDBM50373774 (CHEMBL257731) Show SMILES Cn1cc(cc(NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c1=O)-c1ccsc1 Show InChI InChI=1S/C22H22N6O3S/c1-26-12-15(14-6-10-32-13-14)11-17(20(26)29)24-21(30)27-8-4-16(5-9-27)28-18-3-2-7-23-19(18)25-22(28)31/h2-3,6-7,10-13,16H,4-5,8-9H2,1H3,(H,24,30)(H,23,25,31)	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	330	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