BDBM50190235 CHEMBL213372::isoxazole-3-carboxylic acid [8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-amide

SMILES: CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccon2)c2ccccc12

InChI Key: InChIKey=XWSLVHMENQYJFV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50190235   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM50190235 (CHEMBL213372 | isoxazole-3-carboxylic acid [8-chlo...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccon2)c2ccccc12 |t:8| Show InChI InChI=1S/C22H21ClN6O2/c1-27-9-11-28(12-10-27)21-16-4-2-3-5-19(16)29(25-22(30)17-8-13-31-26-17)20-7-6-15(23)14-18(20)24-21/h2-8,13-14H,9-12H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH 23390 from human dopamine D1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4543-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.022 BindingDB Entry DOI: 10.7270/Q2GT5MSW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50190235 (CHEMBL213372 | isoxazole-3-carboxylic acid [8-chlo...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccon2)c2ccccc12 |t:8| Show InChI InChI=1S/C22H21ClN6O2/c1-27-9-11-28(12-10-27)21-16-4-2-3-5-19(16)29(25-22(30)17-8-13-31-26-17)20-7-6-15(23)14-18(20)24-21/h2-8,13-14H,9-12H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human dopamine D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4543-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.022 BindingDB Entry DOI: 10.7270/Q2GT5MSW
					More data for this Ligand-Target Pair