BDBM60513 US9085531, 137

SMILES: CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1

InChI Key: InChIKey=VLBMNJKZTDKZNF-UHFFFAOYSA-N

Data: 3 KI

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 = 60513   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM60513 (US9085531, 137) Show SMILES CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1 Show InChI InChI=1S/C24H21N3/c1-27-15-21-14-20(24-7-4-12-25-26-24)10-11-22(21)23(16-27)19-9-8-17-5-2-3-6-18(17)13-19/h2-14,23H,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Albany Molecular Research, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...				US Patent US9085531 (2015) BindingDB Entry DOI: 10.7270/Q24X56JQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM60513 (US9085531, 137) Show SMILES CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1 Show InChI InChI=1S/C24H21N3/c1-27-15-21-14-20(24-7-4-12-25-26-24)10-11-22(21)23(16-27)19-9-8-17-5-2-3-6-18(17)13-19/h2-14,23H,15-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Albany Molecular Research, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...				US Patent US9085531 (2015) BindingDB Entry DOI: 10.7270/Q24X56JQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM60513 (US9085531, 137) Show SMILES CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1 Show InChI InChI=1S/C24H21N3/c1-27-15-21-14-20(24-7-4-12-25-26-24)10-11-22(21)23(16-27)19-9-8-17-5-2-3-6-18(17)13-19/h2-14,23H,15-16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	59.7	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Albany Molecular Research, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...				US Patent US9085531 (2015) BindingDB Entry DOI: 10.7270/Q24X56JQ
					More data for this Ligand-Target Pair