BDBM50387518 CHEMBL2059898

SMILES: O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)CNC(=O)c1ccccc21

InChI Key: InChIKey=FRQQDORKPKVZAX-SSEXGKCCSA-N

Data: 1 IC50  1 EC50

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 = 50387518   

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))	BDBM50387518 (CHEMBL2059898) Show SMILES O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)CNC(=O)c1ccccc21 |r| Show InChI InChI=1S/C35H43N5O3S/c41-32-28-9-2-4-10-29(28)35(24-36-32)14-20-40(21-15-35)34(43)37-30(22-25-23-44-31-11-5-3-8-27(25)31)33(42)39-18-12-26(13-19-39)38-16-6-1-7-17-38/h2-5,8-11,23,26,30H,1,6-7,12-22,24H2,(H,36,41)(H,37,43)/t30-/m1/s1	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	n/a	n/a	130	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated formation of cyclic AMP				Bioorg Med Chem Lett 22: 4719-22 (2012) Article DOI: 10.1016/j.bmcl.2012.05.118 BindingDB Entry DOI: 10.7270/Q2NV9K9M
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50387518 (CHEMBL2059898) Show SMILES O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)CNC(=O)c1ccccc21 |r| Show InChI InChI=1S/C35H43N5O3S/c41-32-28-9-2-4-10-29(28)35(24-36-32)14-20-40(21-15-35)34(43)37-30(22-25-23-44-31-11-5-3-8-27(25)31)33(42)39-18-12-26(13-19-39)38-16-6-1-7-17-38/h2-5,8-11,23,26,30H,1,6-7,12-22,24H2,(H,36,41)(H,37,43)/t30-/m1/s1	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells				Bioorg Med Chem Lett 22: 4719-22 (2012) Article DOI: 10.1016/j.bmcl.2012.05.118 BindingDB Entry DOI: 10.7270/Q2NV9K9M
					More data for this Ligand-Target Pair