BDBM50302875 CHEMBL570748::N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-(6-methyl-3-oxo-2,3-dihydropyridazin-4-yl)piperidine-1-carboxamide

SMILES: Cc1cc(C2CCN(CC2)C(=O)N[C@@H]2CC[C@H](CN(CC(F)(F)F)C2=O)c2cccc(F)c2F)c(=O)[nH]n1

InChI Key: InChIKey=ZEMAGZGUDVMJNC-OXQOHEQNSA-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 = 50302875   

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))	BDBM50302875 (CHEMBL570748 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Cc1cc(C2CCN(CC2)C(=O)N[C@@H]2CC[C@H](CN(CC(F)(F)F)C2=O)c2cccc(F)c2F)c(=O)[nH]n1 |r| Show InChI InChI=1S/C25H28F5N5O3/c1-14-11-18(22(36)33-32-14)15-7-9-34(10-8-15)24(38)31-20-6-5-16(17-3-2-4-19(26)21(17)27)12-35(23(20)37)13-25(28,29)30/h2-4,11,15-16,20H,5-10,12-13H2,1H3,(H,31,38)(H,33,36)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	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 HEK 293 cells coexpressing human RAMP1 after 3 hrs by scintillation counting				Bioorg Med Chem Lett 19: 6368-72 (2009) Article DOI: 10.1016/j.bmcl.2009.09.066 BindingDB Entry DOI: 10.7270/Q2PC32FD
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50302875 (CHEMBL570748 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Cc1cc(C2CCN(CC2)C(=O)N[C@@H]2CC[C@H](CN(CC(F)(F)F)C2=O)c2cccc(F)c2F)c(=O)[nH]n1 |r| Show InChI InChI=1S/C25H28F5N5O3/c1-14-11-18(22(36)33-32-14)15-7-9-34(10-8-15)24(38)31-20-6-5-16(17-3-2-4-19(26)21(17)27)12-35(23(20)37)13-25(28,29)30/h2-4,11,15-16,20H,5-10,12-13H2,1H3,(H,31,38)(H,33,36)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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: 6368-72 (2009) Article DOI: 10.1016/j.bmcl.2009.09.066 BindingDB Entry DOI: 10.7270/Q2PC32FD
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50302875 (CHEMBL570748 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Cc1cc(C2CCN(CC2)C(=O)N[C@@H]2CC[C@H](CN(CC(F)(F)F)C2=O)c2cccc(F)c2F)c(=O)[nH]n1 |r| Show InChI InChI=1S/C25H28F5N5O3/c1-14-11-18(22(36)33-32-14)15-7-9-34(10-8-15)24(38)31-20-6-5-16(17-3-2-4-19(26)21(17)27)12-35(23(20)37)13-25(28,29)30/h2-4,11,15-16,20H,5-10,12-13H2,1H3,(H,31,38)(H,33,36)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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: 6368-72 (2009) Article DOI: 10.1016/j.bmcl.2009.09.066 BindingDB Entry DOI: 10.7270/Q2PC32FD
					More data for this Ligand-Target Pair