BDBM50097665 CHEMBL3590077

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

InChI Key: InChIKey=HLWTUGVLYCATKY-OCEACIFDSA-N

Data: 10 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 10 hits for monomerid = 50097665   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50097665 (CHEMBL3590077) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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 dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097665 (CHEMBL3590077) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50097665 (CHEMBL3590077) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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 dopamine D2 short receptor expressed in CHO cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50097665 (CHEMBL3590077) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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))	BDBM50097665 (CHEMBL3590077) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50097665 (CHEMBL3590077) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	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 dopamine D2 long receptor expressed in CHO cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50097665 (CHEMBL3590077) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097665 (CHEMBL3590077) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	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]ketanserin from human 5HT2A receptor expressed in HEK293 cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50097665 (CHEMBL3590077) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	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]SCH23390 from human dopamine D1 receptor expressed in HEK293 cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50097665 (CHEMBL3590077) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	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]SCH23390 from human dopamine D5 receptor expressed in HEK293 cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair