BDBM50387509 CHEMBL2059877

SMILES: O=C(N[C@H](Cc1ccc2NC(=O)Cc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O

InChI Key: InChIKey=JWHJIIANXOMUPH-WJOKGBTCSA-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 = 50387509   

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))	BDBM50387509 (CHEMBL2059877) Show SMILES O=C(N[C@H](Cc1ccc2NC(=O)Cc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C35H45N7O4/c43-32-22-26-20-24(8-9-30(26)36-32)21-31(33(44)40-16-10-27(11-17-40)39-14-4-1-5-15-39)38-34(45)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)37-35(42)46/h2-3,6-9,20,27-28,31H,1,4-5,10-19,21-23H2,(H,36,43)(H,37,46)(H,38,45)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs				Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50387509 (CHEMBL2059877) Show SMILES O=C(N[C@H](Cc1ccc2NC(=O)Cc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C35H45N7O4/c43-32-22-26-20-24(8-9-30(26)36-32)21-31(33(44)40-16-10-27(11-17-40)39-14-4-1-5-15-39)38-34(45)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)37-35(42)46/h2-3,6-9,20,27-28,31H,1,4-5,10-19,21-23H2,(H,36,43)(H,37,46)(H,38,45)/t31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 expressed in baculo-virus infected insect microsomes using benzyloxyresorufin as substrate after 45 mins by fl...				Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W
					More data for this Ligand-Target Pair