BDBM50120925 8-Chloro-6-(4-cyclohexyl-piperazin-1-yl)-11H-benzo[e]pyrido[3,2-b][1,4]diazepine::CHEMBL148559

SMILES: Clc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1

InChI Key: InChIKey=YQKVPKZIEDUDMI-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 = 50120925   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50120925 (8-Chloro-6-(4-cyclohexyl-piperazin-1-yl)-11H-benzo...) Show SMILES Clc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1 |t:13| Show InChI InChI=1S/C22H26ClN5/c23-16-8-9-19-18(15-16)22(26-20-7-4-10-24-21(20)25-19)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h4,7-10,15,17H,1-3,5-6,11-14H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane				J Med Chem 45: 5136-49 (2002) BindingDB Entry DOI: 10.7270/Q2571BC1
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50120925 (8-Chloro-6-(4-cyclohexyl-piperazin-1-yl)-11H-benzo...) Show SMILES Clc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1 |t:13| Show InChI InChI=1S/C22H26ClN5/c23-16-8-9-19-18(15-16)22(26-20-7-4-10-24-21(20)25-19)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h4,7-10,15,17H,1-3,5-6,11-14H2,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes				J Med Chem 45: 5136-49 (2002) BindingDB Entry DOI: 10.7270/Q2571BC1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50120925 (8-Chloro-6-(4-cyclohexyl-piperazin-1-yl)-11H-benzo...) Show SMILES Clc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1 |t:13| Show InChI InChI=1S/C22H26ClN5/c23-16-8-9-19-18(15-16)22(26-20-7-4-10-24-21(20)25-19)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h4,7-10,15,17H,1-3,5-6,11-14H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	571	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned Dopamine receptor D2L expressed in Sf9 cell membranes				J Med Chem 45: 5136-49 (2002) BindingDB Entry DOI: 10.7270/Q2571BC1
					More data for this Ligand-Target Pair