BDBM50505704 CHEMBL4534703

SMILES: COc1ccccc1N1CCN(CCCNC(=O)\N=N\c2ccc(F)cc2)CC1

InChI Key: InChIKey=YQKDABBJXATHLA-OCOZRVBESA-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 = 50505704   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50505704 (CHEMBL4534703) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H26FN5O2/c1-29-20-6-3-2-5-19(20)27-15-13-26(14-16-27)12-4-11-23-21(28)25-24-18-9-7-17(22)8-10-18/h2-3,5-10H,4,11-16H2,1H3,(H,23,28)/b25-24+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H] Spiperone from human D4.4 receptor expressed in CHO cells by competitive radioligand binding assay				J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50505704 (CHEMBL4534703) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H26FN5O2/c1-29-20-6-3-2-5-19(20)27-15-13-26(14-16-27)12-4-11-23-21(28)25-24-18-9-7-17(22)8-10-18/h2-3,5-10H,4,11-16H2,1H3,(H,23,28)/b25-24+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H] Spiperone from human D2S receptor expressed in CHO cells by competitive radioligand binding assay				J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50505704 (CHEMBL4534703) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H26FN5O2/c1-29-20-6-3-2-5-19(20)27-15-13-26(14-16-27)12-4-11-23-21(28)25-24-18-9-7-17(22)8-10-18/h2-3,5-10H,4,11-16H2,1H3,(H,23,28)/b25-24+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H] Spiperone from human D2L receptor expressed in CHO cells by competitive radioligand binding assay				J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50505704 (CHEMBL4534703) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H26FN5O2/c1-29-20-6-3-2-5-19(20)27-15-13-26(14-16-27)12-4-11-23-21(28)25-24-18-9-7-17(22)8-10-18/h2-3,5-10H,4,11-16H2,1H3,(H,23,28)/b25-24+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H] Spiperone from human D3 receptor expressed in CHO cells by competitive radioligand binding assay				J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085
					More data for this Ligand-Target Pair