BDBM50217495 CHEMBL429262::N-((3R,6S)-1-(cyclopropylmethyl)-2-oxo-6-phenylazepan-3-yl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide

SMILES: O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O

InChI Key: InChIKey=RUEPQTQOKXMCFR-YIXXDRMTSA-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 = 50217495   

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/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50217495 (CHEMBL429262 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...) Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)/t23-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	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 CL receptor in RAMP1 membranes				Bioorg Med Chem Lett 17: 4795-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.062 BindingDB Entry DOI: 10.7270/Q2JS9Q4D
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50217495 (CHEMBL429262 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...) Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)/t23-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production				Bioorg Med Chem Lett 17: 4795-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.062 BindingDB Entry DOI: 10.7270/Q2JS9Q4D
					More data for this Ligand-Target Pair