BDBM50387524 CHEMBL2059905

SMILES: O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)OC(=O)Nc1ccccc21

InChI Key: InChIKey=WGJMVERMPFJOTM-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 = 50387524   

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))	BDBM50387524 (CHEMBL2059905) Show SMILES O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)OC(=O)Nc1ccccc21 |r| Show InChI InChI=1S/C34H41N5O4S/c40-31(38-18-12-25(13-19-38)37-16-6-1-7-17-37)29(22-24-23-44-30-11-5-2-8-26(24)30)35-32(41)39-20-14-34(15-21-39)27-9-3-4-10-28(27)36-33(42)43-34/h2-5,8-11,23,25,29H,1,6-7,12-22H2,(H,35,41)(H,36,42)/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	31	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))	BDBM50387524 (CHEMBL2059905) Show SMILES O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)OC(=O)Nc1ccccc21 |r| Show InChI InChI=1S/C34H41N5O4S/c40-31(38-18-12-25(13-19-38)37-16-6-1-7-17-37)29(22-24-23-44-30-11-5-2-8-26(24)30)35-32(41)39-20-14-34(15-21-39)27-9-3-4-10-28(27)36-33(42)43-34/h2-5,8-11,23,25,29H,1,6-7,12-22H2,(H,35,41)(H,36,42)/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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