BDBM50315409 2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl)methyl)-1,2,2a,3-tetrahydropyrrolo[4,3,2-de]quinolin-4(5H)-one::CHEMBL1092208

SMILES: CCC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23

InChI Key: InChIKey=NCUQDQRRJWAEPD-NLIBRCFJSA-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 = 50315409   

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))	BDBM50315409 (2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[...) Show SMILES CCC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23 |r| Show InChI InChI=1S/C31H27N5O2/c1-2-30-15-26(37)34-23-6-3-7-25(27(23)30)36(17-30)16-21-9-8-18-11-19-13-31(14-20(19)12-24(18)33-21)22-5-4-10-32-28(22)35-29(31)38/h3-12H,2,13-17H2,1H3,(H,34,37)(H,32,35,38)/t30?,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 20: 2572-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.086 BindingDB Entry DOI: 10.7270/Q2765FFZ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50315409 (2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[...) Show SMILES CCC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23 |r| Show InChI InChI=1S/C31H27N5O2/c1-2-30-15-26(37)34-23-6-3-7-25(27(23)30)36(17-30)16-21-9-8-18-11-19-13-31(14-20(19)12-24(18)33-21)22-5-4-10-32-28(22)35-29(31)38/h3-12H,2,13-17H2,1H3,(H,34,37)(H,32,35,38)/t30?,31-/m1/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production in t...				Bioorg Med Chem Lett 20: 2572-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.086 BindingDB Entry DOI: 10.7270/Q2765FFZ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50315409 (2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[...) Show SMILES CCC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23 |r| Show InChI InChI=1S/C31H27N5O2/c1-2-30-15-26(37)34-23-6-3-7-25(27(23)30)36(17-30)16-21-9-8-18-11-19-13-31(14-20(19)12-24(18)33-21)22-5-4-10-32-28(22)35-29(31)38/h3-12H,2,13-17H2,1H3,(H,34,37)(H,32,35,38)/t30?,31-/m1/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	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 20: 2572-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.086 BindingDB Entry DOI: 10.7270/Q2765FFZ
					More data for this Ligand-Target Pair