BDBM102177 US8530648, 107

SMILES: O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2c1

InChI Key: InChIKey=FAHIANPLXOTJJI-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 102177   

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))	BDBM102177 (US8530648, 107) Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C27H28N4O/c32-26-27(10-5-13-31(26)19-21-17-28-25-9-4-2-7-23(21)25)11-14-30(15-12-27)22-16-20-6-1-3-8-24(20)29-18-22/h1-4,6-9,16-18,28H,5,10-15,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32	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))	BDBM102177 (US8530648, 107) Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C27H28N4O/c32-26-27(10-5-13-31(26)19-21-17-28-25-9-4-2-7-23(21)25)11-14-30(15-12-27)22-16-20-6-1-3-8-24(20)29-18-22/h1-4,6-9,16-18,28H,5,10-15,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.04E+3	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))	BDBM102177 (US8530648, 107) Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C27H28N4O/c32-26-27(10-5-13-31(26)19-21-17-28-25-9-4-2-7-23(21)25)11-14-30(15-12-27)22-16-20-6-1-3-8-24(20)29-18-22/h1-4,6-9,16-18,28H,5,10-15,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	147	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 1 (Homo sapiens (Human))	BDBM102177 (US8530648, 107) Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C27H28N4O/c32-26-27(10-5-13-31(26)19-21-17-28-25-9-4-2-7-23(21)25)11-14-30(15-12-27)22-16-20-6-1-3-8-24(20)29-18-22/h1-4,6-9,16-18,28H,5,10-15,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.84E+3	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