BDBM50000987 CHEMBL3235251

SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)\C=C\c1ccc(F)cn1

InChI Key: InChIKey=DCHBSRUTSLBOQU-VZUWTINFSA-N

Data: 2 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 4 hits for monomerid = 50000987   

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))	BDBM50000987 (CHEMBL3235251) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)\C=C\c1ccc(F)cn1 |r| Show InChI InChI=1S/C23H24FN5O/c1-16-3-10-22(29-26-11-12-27-29)21(13-16)23(30)28-15-18(5-4-17(28)2)6-8-20-9-7-19(24)14-25-20/h3,6-14,17-18H,4-5,15H2,1-2H3/b8-6+/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Binding affinity to human OX2 receptor in cell membrane by in vitro radioligand binding assay				Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50000987 (CHEMBL3235251) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)\C=C\c1ccc(F)cn1 |r| Show InChI InChI=1S/C23H24FN5O/c1-16-3-10-22(29-26-11-12-27-29)21(13-16)23(30)28-15-18(5-4-17(28)2)6-8-20-9-7-19(24)14-25-20/h3,6-14,17-18H,4-5,15H2,1-2H3/b8-6+/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human OX1 receptor in cell membrane by in vitro radioligand binding assay				Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50000987 (CHEMBL3235251) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)\C=C\c1ccc(F)cn1 |r| Show InChI InChI=1S/C23H24FN5O/c1-16-3-10-22(29-26-11-12-27-29)21(13-16)23(30)28-15-18(5-4-17(28)2)6-8-20-9-7-19(24)14-25-20/h3,6-14,17-18H,4-5,15H2,1-2H3/b8-6+/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	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 assessed as Ca2+ flux by FLIPR assay				Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50000987 (CHEMBL3235251) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)\C=C\c1ccc(F)cn1 |r| Show InChI InChI=1S/C23H24FN5O/c1-16-3-10-22(29-26-11-12-27-29)21(13-16)23(30)28-15-18(5-4-17(28)2)6-8-20-9-7-19(24)14-25-20/h3,6-14,17-18H,4-5,15H2,1-2H3/b8-6+/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX1 receptor assessed as Ca2+ flux by FLIPR assay				Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F
					More data for this Ligand-Target Pair