BDBM50303791 (-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]-thiazole-2,6-diamine::CHEMBL571992

SMILES: CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1

InChI Key: InChIKey=SNMHDHJEXUFVCO-FQEVSTJZSA-N

Data: 6 KI  5 EC50

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 11 hits for monomerid = 50303791   

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 (Rattus norvegicus (Rat))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 55: 5826-40 (2012) Article DOI: 10.1021/jm300268s BindingDB Entry DOI: 10.7270/Q2NC629F
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 53: 1023-37 (2010) Article DOI: 10.1021/jm901184n BindingDB Entry DOI: 10.7270/Q29023VM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells				Bioorg Med Chem 18: 5661-74 (2010) Article DOI: 10.1016/j.bmc.2010.06.025 BindingDB Entry DOI: 10.7270/Q2W37WJ9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells				J Med Chem 55: 5826-40 (2012) Article DOI: 10.1021/jm300268s BindingDB Entry DOI: 10.7270/Q2NC629F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2L receptor expressed in HEK293 cells				J Med Chem 53: 1023-37 (2010) Article DOI: 10.1021/jm901184n BindingDB Entry DOI: 10.7270/Q29023VM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.520	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D3 receptor expressed in mouse AtT-20 cells assessed as stimulation of [35S]GTPgamma binding				J Med Chem 53: 1023-37 (2010) Article DOI: 10.1021/jm901184n BindingDB Entry DOI: 10.7270/Q29023VM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.820	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Agonist activity at human cloned dopamine D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 55: 5826-40 (2012) Article DOI: 10.1021/jm300268s BindingDB Entry DOI: 10.7270/Q2NC629F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	116	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...				Bioorg Med Chem 21: 3164-74 (2013) Article DOI: 10.1016/j.bmc.2013.03.059 BindingDB Entry DOI: 10.7270/Q2930VKD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	116	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgamma binding				J Med Chem 53: 1023-37 (2010) Article DOI: 10.1021/jm901184n BindingDB Entry DOI: 10.7270/Q29023VM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50303791 ((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...) Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	116	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Agonist activity at human cloned dopamine D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 55: 5826-40 (2012) Article DOI: 10.1021/jm300268s BindingDB Entry DOI: 10.7270/Q2NC629F
					More data for this Ligand-Target Pair