BDBM50203754 CHEMBL3955752

SMILES: FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2cncc12

InChI Key: InChIKey=HDXOKNFWVWBAOR-IBGZPJMESA-N

Data: 3 KI  1 IC50  1 Kd

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 5 hits for monomerid = 50203754   

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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50203754 (CHEMBL3955752) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2cncc12 |r| Show InChI InChI=1S/C22H18F2N4O2/c23-22(24)9-11-27(21(29)16-5-3-10-28-14-25-12-18(16)28)13-19(22)30-20-8-7-15-4-1-2-6-17(15)26-20/h1-8,10,12,14,19H,9,11,13H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.01E+3	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 (2S)-N-(2-pyrrol-1-ylphenyl)-1-[2-[1-(tritritiomethyl)benzimidazol-2-yl]sulfanylacetyl]pyrrolidine-2-carboxamide from human OX2 recep...				Bioorg Med Chem Lett 26: 5809-5814 (2016) Article DOI: 10.1016/j.bmcl.2016.10.019 BindingDB Entry DOI: 10.7270/Q2MS3VRG
					More data for this Ligand-Target Pair
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM50203754 (CHEMBL3955752) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2cncc12 |r| Show InChI InChI=1S/C22H18F2N4O2/c23-22(24)9-11-27(21(29)16-5-3-10-28-14-25-12-18(16)28)13-19(22)30-20-8-7-15-4-1-2-6-17(15)26-20/h1-8,10,12,14,19H,9,11,13H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat OX1 receptor assessed as inhibition of Ala-6,12 orexin-A-induced calcium increase preincubated for 5 mins prior to Ala-6,1...				Bioorg Med Chem Lett 26: 5809-5814 (2016) Article DOI: 10.1016/j.bmcl.2016.10.019 BindingDB Entry DOI: 10.7270/Q2MS3VRG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (OX2) (Rattus norvegicus (Rat))	BDBM50203754 (CHEMBL3955752) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2cncc12 |r| Show InChI InChI=1S/C22H18F2N4O2/c23-22(24)9-11-27(21(29)16-5-3-10-28-14-25-12-18(16)28)13-19(22)30-20-8-7-15-4-1-2-6-17(15)26-20/h1-8,10,12,14,19H,9,11,13H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat OX2 receptor assessed as inhibition of Ala-6,12 orexin-A-induced calcium increase preincubated for 5 mins prior to Ala-6,1...				Bioorg Med Chem Lett 26: 5809-5814 (2016) Article DOI: 10.1016/j.bmcl.2016.10.019 BindingDB Entry DOI: 10.7270/Q2MS3VRG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50203754 (CHEMBL3955752) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2cncc12 |r| Show InChI InChI=1S/C22H18F2N4O2/c23-22(24)9-11-27(21(29)16-5-3-10-28-14-25-12-18(16)28)13-19(22)30-20-8-7-15-4-1-2-6-17(15)26-20/h1-8,10,12,14,19H,9,11,13H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed on CHO cell membrane assessed as inhibition of Ala-6,12 orexin-A-induced calcium increase preincu...				Bioorg Med Chem Lett 26: 5809-5814 (2016) Article DOI: 10.1016/j.bmcl.2016.10.019 BindingDB Entry DOI: 10.7270/Q2MS3VRG
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50203754 (CHEMBL3955752) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2cncc12 |r| Show InChI InChI=1S/C22H18F2N4O2/c23-22(24)9-11-27(21(29)16-5-3-10-28-14-25-12-18(16)28)13-19(22)30-20-8-7-15-4-1-2-6-17(15)26-20/h1-8,10,12,14,19H,9,11,13H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX1 receptor (unknown origin)				Bioorg Med Chem Lett 26: 5809-5814 (2016) Article DOI: 10.1016/j.bmcl.2016.10.019 BindingDB Entry DOI: 10.7270/Q2MS3VRG
					More data for this Ligand-Target Pair