BDBM50207160 CHEMBL3962525

SMILES: CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1

InChI Key: InChIKey=KHUQUWFRCNWUQH-WGSAOQKQSA-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 = 50207160   

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))	BDBM50207160 (CHEMBL3962525) Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(10.69,-26.4,;12.22,-26.5,;13.05,-25.22,;14.59,-25.27,;15.3,-26.65,;15.35,-23.94,;16.9,-23.94,;17.67,-22.61,;19.21,-22.61,;19.98,-23.94,;21.52,-23.94,;22.28,-22.61,;23.82,-22.61,;24.6,-23.94,;26.14,-23.94,;26.9,-22.61,;26.14,-21.27,;24.6,-21.27,;28.44,-22.61,;29.37,-23.89,;30.81,-23.37,;30.81,-21.83,;31.93,-20.81,;31.62,-19.32,;30.19,-18.85,;29.01,-19.88,;29.37,-21.37,;19.21,-25.27,;17.67,-25.27,)| Show InChI InChI=1S/C23H34N4OS/c1-2-5-22(28)24-19-10-8-18(9-11-19)12-13-26-14-16-27(17-15-26)23-20-6-3-4-7-21(20)29-25-23/h3-4,6-7,18-19H,2,5,8-17H2,1H3,(H,24,28)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...				Eur J Med Chem 123: 332-353 (2016) Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50207160 (CHEMBL3962525) Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(10.69,-26.4,;12.22,-26.5,;13.05,-25.22,;14.59,-25.27,;15.3,-26.65,;15.35,-23.94,;16.9,-23.94,;17.67,-22.61,;19.21,-22.61,;19.98,-23.94,;21.52,-23.94,;22.28,-22.61,;23.82,-22.61,;24.6,-23.94,;26.14,-23.94,;26.9,-22.61,;26.14,-21.27,;24.6,-21.27,;28.44,-22.61,;29.37,-23.89,;30.81,-23.37,;30.81,-21.83,;31.93,-20.81,;31.62,-19.32,;30.19,-18.85,;29.01,-19.88,;29.37,-21.37,;19.21,-25.27,;17.67,-25.27,)| Show InChI InChI=1S/C23H34N4OS/c1-2-5-22(28)24-19-10-8-18(9-11-19)12-13-26-14-16-27(17-15-26)23-20-6-3-4-7-21(20)29-25-23/h3-4,6-7,18-19H,2,5,8-17H2,1H3,(H,24,28)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...				Eur J Med Chem 123: 332-353 (2016) Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50207160 (CHEMBL3962525) Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(10.69,-26.4,;12.22,-26.5,;13.05,-25.22,;14.59,-25.27,;15.3,-26.65,;15.35,-23.94,;16.9,-23.94,;17.67,-22.61,;19.21,-22.61,;19.98,-23.94,;21.52,-23.94,;22.28,-22.61,;23.82,-22.61,;24.6,-23.94,;26.14,-23.94,;26.9,-22.61,;26.14,-21.27,;24.6,-21.27,;28.44,-22.61,;29.37,-23.89,;30.81,-23.37,;30.81,-21.83,;31.93,-20.81,;31.62,-19.32,;30.19,-18.85,;29.01,-19.88,;29.37,-21.37,;19.21,-25.27,;17.67,-25.27,)| Show InChI InChI=1S/C23H34N4OS/c1-2-5-22(28)24-19-10-8-18(9-11-19)12-13-26-14-16-27(17-15-26)23-20-6-3-4-7-21(20)29-25-23/h3-4,6-7,18-19H,2,5,8-17H2,1H3,(H,24,28)/t18-,19-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting metho...				Eur J Med Chem 123: 332-353 (2016) Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50207160 (CHEMBL3962525) Show SMILES CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(10.69,-26.4,;12.22,-26.5,;13.05,-25.22,;14.59,-25.27,;15.3,-26.65,;15.35,-23.94,;16.9,-23.94,;17.67,-22.61,;19.21,-22.61,;19.98,-23.94,;21.52,-23.94,;22.28,-22.61,;23.82,-22.61,;24.6,-23.94,;26.14,-23.94,;26.9,-22.61,;26.14,-21.27,;24.6,-21.27,;28.44,-22.61,;29.37,-23.89,;30.81,-23.37,;30.81,-21.83,;31.93,-20.81,;31.62,-19.32,;30.19,-18.85,;29.01,-19.88,;29.37,-21.37,;19.21,-25.27,;17.67,-25.27,)| Show InChI InChI=1S/C23H34N4OS/c1-2-5-22(28)24-19-10-8-18(9-11-19)12-13-26-14-16-27(17-15-26)23-20-6-3-4-7-21(20)29-25-23/h3-4,6-7,18-19H,2,5,8-17H2,1H3,(H,24,28)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 123: 332-353 (2016) Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP
					More data for this Ligand-Target Pair