BDBM50118295 11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-benzo[4,5]imidazo[2,1-a]isoindol-11-ol::CHEMBL337020

SMILES: OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1

InChI Key: InChIKey=KLRMDPMJYLBCKY-IJXZTRCJSA-N

Data: 3 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 5 hits for monomerid = 50118295   

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 (Homo sapiens (Human))	BDBM50118295 (11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...) Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells				J Med Chem 45: 4110-8 (2002) BindingDB Entry DOI: 10.7270/Q25Q4VF3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118295 (11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...) Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells				J Med Chem 45: 4110-8 (2002) BindingDB Entry DOI: 10.7270/Q25Q4VF3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50118295 (11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...) Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of [125I]- RTI -55 binding at the Norepinephrin transpoter sites on HEK-hNET cells				J Med Chem 45: 4110-8 (2002) BindingDB Entry DOI: 10.7270/Q25Q4VF3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118295 (11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...) Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.				J Med Chem 45: 4110-8 (2002) BindingDB Entry DOI: 10.7270/Q25Q4VF3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50118295 (11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-b...) Show SMILES OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34.2	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.				J Med Chem 45: 4110-8 (2002) BindingDB Entry DOI: 10.7270/Q25Q4VF3
					More data for this Ligand-Target Pair