BDBM50052170 (S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,4]oxadiazol-5-yl)-8-aza-bicyclo[3.2.1]octane::CHEMBL419324

SMILES: CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1

InChI Key: InChIKey=MLEBXCGNNIYOSJ-WSXZXBBNSA-N

Data: 1 KI  3 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 = 50052170   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50052170 ((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...) Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes				J Med Chem 39: 2753-63 (1996) Article DOI: 10.1021/jm960160e BindingDB Entry DOI: 10.7270/Q2N87BDF
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50052170 ((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...) Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat				J Med Chem 39: 2753-63 (1996) Article DOI: 10.1021/jm960160e BindingDB Entry DOI: 10.7270/Q2N87BDF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50052170 ((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...) Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex				J Med Chem 39: 2753-63 (1996) Article DOI: 10.1021/jm960160e BindingDB Entry DOI: 10.7270/Q2N87BDF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50052170 ((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...) Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum				J Med Chem 39: 2753-63 (1996) Article DOI: 10.1021/jm960160e BindingDB Entry DOI: 10.7270/Q2N87BDF
					More data for this Ligand-Target Pair