BDBM102133 CHEMBL2435408::US8530648, 30

SMILES: O=C1N(Cc2cccc3[nH]ccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1

InChI Key: InChIKey=DCKAOKXRHCMSPN-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 102133   

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))	BDBM102133 (CHEMBL2435408 | US8530648, 30) Show SMILES O=C1N(Cc2cccc3[nH]ccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C26H27N5O/c32-25-26(10-4-14-31(25)18-19-5-3-8-21-20(19)9-13-27-21)11-15-30(16-12-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-9,13,17,27H,4,10-12,14-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	63	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description FLIPR assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM102133 (CHEMBL2435408 | US8530648, 30) Show SMILES O=C1N(Cc2cccc3[nH]ccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C26H27N5O/c32-25-26(10-4-14-31(25)18-19-5-3-8-21-20(19)9-13-27-21)11-15-30(16-12-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-9,13,17,27H,4,10-12,14-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM102133 (CHEMBL2435408 | US8530648, 30) Show SMILES O=C1N(Cc2cccc3[nH]ccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C26H27N5O/c32-25-26(10-4-14-31(25)18-19-5-3-8-21-20(19)9-13-27-21)11-15-30(16-12-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-9,13,17,27H,4,10-12,14-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	474	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description FLIPR assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM102133 (CHEMBL2435408 | US8530648, 30) Show SMILES O=C1N(Cc2cccc3[nH]ccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C26H27N5O/c32-25-26(10-4-14-31(25)18-19-5-3-8-21-20(19)9-13-27-21)11-15-30(16-12-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-9,13,17,27H,4,10-12,14-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM102133 (CHEMBL2435408 | US8530648, 30) Show SMILES O=C1N(Cc2cccc3[nH]ccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C26H27N5O/c32-25-26(10-4-14-31(25)18-19-5-3-8-21-20(19)9-13-27-21)11-15-30(16-12-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-9,13,17,27H,4,10-12,14-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	630	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Radioligand binding assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM102133 (CHEMBL2435408 | US8530648, 30) Show SMILES O=C1N(Cc2cccc3[nH]ccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C26H27N5O/c32-25-26(10-4-14-31(25)18-19-5-3-8-21-20(19)9-13-27-21)11-15-30(16-12-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-9,13,17,27H,4,10-12,14-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	130	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Radioligand binding assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair