BDBM50137982 7-Chloro-9-(4-methyl-[1,4]diazepan-1-yl)-4-thia-10a-aza-benzo[f]azulene::CHEMBL177455

SMILES: CN1CCCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12

InChI Key: InChIKey=FALNVJOEUBWZEU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50137982   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50137982 (7-Chloro-9-(4-methyl-[1,4]diazepan-1-yl)-4-thia-10...) Show SMILES CN1CCCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12 |t:9| Show InChI InChI=1S/C18H20ClN3S/c1-20-7-3-9-21(11-10-20)16-13-22-8-2-4-18(22)23-17-6-5-14(19)12-15(16)17/h2,4-6,8,12-13H,3,7,9-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50137982 (7-Chloro-9-(4-methyl-[1,4]diazepan-1-yl)-4-thia-10...) Show SMILES CN1CCCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12 |t:9| Show InChI InChI=1S/C18H20ClN3S/c1-20-7-3-9-21(11-10-20)16-13-22-8-2-4-18(22)23-17-6-5-14(19)12-15(16)17/h2,4-6,8,12-13H,3,7,9-11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes using [3H]7-OH-DPAT as radioligand				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50137982 (7-Chloro-9-(4-methyl-[1,4]diazepan-1-yl)-4-thia-10...) Show SMILES CN1CCCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12 |t:9| Show InChI InChI=1S/C18H20ClN3S/c1-20-7-3-9-21(11-10-20)16-13-22-8-2-4-18(22)23-17-6-5-14(19)12-15(16)17/h2,4-6,8,12-13H,3,7,9-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50137982 (7-Chloro-9-(4-methyl-[1,4]diazepan-1-yl)-4-thia-10...) Show SMILES CN1CCCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12 |t:9| Show InChI InChI=1S/C18H20ClN3S/c1-20-7-3-9-21(11-10-20)16-13-22-8-2-4-18(22)23-17-6-5-14(19)12-15(16)17/h2,4-6,8,12-13H,3,7,9-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description In vitro binding affinity towards Dopamine receptor D1 in rat tissue homogenate using [3H]-SCH- 23390 as radioligand				J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH
					More data for this Ligand-Target Pair