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SMILES: Cc1cc2c(cccn2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1

InChI Key: InChIKey=FIJPMMPGAZUPGI-LEWJYISDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 476791   

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))	BDBM476791 (US10870660, Compound III-228 | US11345716, Compoun...) Show SMILES Cc1cc2c(cccn2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1 |r| Show InChI InChI=1S/C27H32F3N5O3/c1-18-15-24-22(3-2-11-35(24)33-18)26(36)31-20-5-6-21(37-16-20)9-13-34-12-8-19-4-7-25(32-23(19)10-14-34)38-17-27(28,29)30/h2-4,7,11,15,20-21H,5-6,8-10,12-14,16-17H2,1H3,(H,31,36)/t20-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM476791 (US10870660, Compound III-228 | US11345716, Compoun...) Show SMILES Cc1cc2c(cccn2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1 |r| Show InChI InChI=1S/C27H32F3N5O3/c1-18-15-24-22(3-2-11-35(24)33-18)26(36)31-20-5-6-21(37-16-20)9-13-34-12-8-19-4-7-25(32-23(19)10-14-34)38-17-27(28,29)30/h2-4,7,11,15,20-21H,5-6,8-10,12-14,16-17H2,1H3,(H,31,36)/t20-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PQ8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM476791 (US10870660, Compound III-228 | US11345716, Compoun...) Show SMILES Cc1cc2c(cccn2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1 |r| Show InChI InChI=1S/C27H32F3N5O3/c1-18-15-24-22(3-2-11-35(24)33-18)26(36)31-20-5-6-21(37-16-20)9-13-34-12-8-19-4-7-25(32-23(19)10-14-34)38-17-27(28,29)30/h2-4,7,11,15,20-21H,5-6,8-10,12-14,16-17H2,1H3,(H,31,36)/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PQ8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM476791 (US10870660, Compound III-228 | US11345716, Compoun...) Show SMILES Cc1cc2c(cccn2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1 |r| Show InChI InChI=1S/C27H32F3N5O3/c1-18-15-24-22(3-2-11-35(24)33-18)26(36)31-20-5-6-21(37-16-20)9-13-34-12-8-19-4-7-25(32-23(19)10-14-34)38-17-27(28,29)30/h2-4,7,11,15,20-21H,5-6,8-10,12-14,16-17H2,1H3,(H,31,36)/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
					More data for this Ligand-Target Pair