BDBM50387520 CHEMBL2059900

SMILES: O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)N=C(NC2=O)c1ccccc1

InChI Key: InChIKey=LMPHOXYGKFAVAU-GDLZYMKVSA-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 = 50387520   

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
CGRP type 1 receptor (Homo sapiens (Human))	BDBM50387520 (CHEMBL2059900) Show SMILES O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)N=C(NC2=O)c1ccccc1 |r,c:39| Show InChI InChI=1S/C35H42N6O3S/c42-32(40-19-13-27(14-20-40)39-17-7-2-8-18-39)29(23-26-24-45-30-12-6-5-11-28(26)30)36-34(44)41-21-15-35(16-22-41)33(43)37-31(38-35)25-9-3-1-4-10-25/h1,3-6,9-12,24,27,29H,2,7-8,13-23H2,(H,36,44)(H,37,38,43)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	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
CGRP type 1 receptor (Homo sapiens (Human))	BDBM50387520 (CHEMBL2059900) Show SMILES O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)N=C(NC2=O)c1ccccc1 |r,c:39| Show InChI InChI=1S/C35H42N6O3S/c42-32(40-19-13-27(14-20-40)39-17-7-2-8-18-39)29(23-26-24-45-30-12-6-5-11-28(26)30)36-34(44)41-21-15-35(16-22-41)33(43)37-31(38-35)25-9-3-1-4-10-25/h1,3-6,9-12,24,27,29H,2,7-8,13-23H2,(H,36,44)(H,37,38,43)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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