BDBM50296786 (S)-2-(1-methyl-2-oxo-2,3-dihydropyrrolo[4,3,2-de]quinolin-5(1H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl)acetamide::CHEMBL563727

SMILES: CN1C(=O)Cc2cn(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc1c23

InChI Key: InChIKey=ZGXXRWFKEBLBBN-NDEPHWFRSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50296786   

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))	BDBM50296786 ((S)-2-(1-methyl-2-oxo-2,3-dihydropyrrolo[4,3,2-de]...) Show SMILES CN1C(=O)Cc2cn(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc1c23 |r| Show InChI InChI=1S/C28H23N5O3/c1-32-21-5-2-6-22-25(21)18(11-24(32)35)14-33(22)15-23(34)30-19-8-7-16-12-28(13-17(16)10-19)20-4-3-9-29-26(20)31-27(28)36/h2-10,14H,11-13,15H2,1H3,(H,30,34)(H,29,31,36)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50296786 ((S)-2-(1-methyl-2-oxo-2,3-dihydropyrrolo[4,3,2-de]...) Show SMILES CN1C(=O)Cc2cn(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc1c23 |r| Show InChI InChI=1S/C28H23N5O3/c1-32-21-5-2-6-22-25(21)18(11-24(32)35)14-33(22)15-23(34)30-19-8-7-16-12-28(13-17(16)10-19)20-4-3-9-29-26(20)31-27(28)36/h2-10,14H,11-13,15H2,1H3,(H,30,34)(H,29,31,36)/t28-/m0/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	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CLR expressed in HEK293 cells coexpressing human RAMP1 assessed as inhibition of human CGRPalpha-induced cAMP production...				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50296786 ((S)-2-(1-methyl-2-oxo-2,3-dihydropyrrolo[4,3,2-de]...) Show SMILES CN1C(=O)Cc2cn(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc1c23 |r| Show InChI InChI=1S/C28H23N5O3/c1-32-21-5-2-6-22-25(21)18(11-24(32)35)14-33(22)15-23(34)30-19-8-7-16-12-28(13-17(16)10-19)20-4-3-9-29-26(20)31-27(28)36/h2-10,14H,11-13,15H2,1H3,(H,30,34)(H,29,31,36)/t28-/m0/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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CLR expressed in HEK293 cells coexpressing human RAMP1 assessed as inhibition of human CGRPalpha-induced cAMP production...				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair