BDBM141780 US8921397, 22

SMILES: OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1

InChI Key: InChIKey=HUVWCUMZGKOSQX-KESTWPANSA-N

Data: 3 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 3 hits for monomerid = 141780   

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))	BDBM141780 (US8921397, 22) Show SMILES OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:10.11,wD:7.7,(9.48,2.67,;8.71,1.33,;9.11,-.15,;10.2,.94,;7.17,1.33,;6.4,2.67,;6.4,,;4.86,,;4.09,1.33,;2.55,1.33,;1.78,,;.24,,;-.53,-1.33,;-2.07,-1.33,;-2.84,-2.67,;-4.38,-2.67,;-5.15,-1.33,;-4.38,,;-2.84,,;-6.69,-1.33,;-7.59,-2.58,;-9.06,-2.1,;-9.06,-.56,;-10.2,.47,;-9.88,1.97,;-8.42,2.45,;-7.27,1.42,;-7.59,-.09,;2.55,-1.33,;4.09,-1.33,)| Show InChI InChI=1S/C25H34N2O3/c28-24(25(29)12-13-25)26-20-7-5-18(6-8-20)9-14-27-15-10-19(11-16-27)22-17-30-23-4-2-1-3-21(22)23/h1-4,17-20,29H,5-16H2,(H,26,28)/t18-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1...				US Patent US8921397 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31C3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM141780 (US8921397, 22) Show SMILES OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:10.11,wD:7.7,(9.48,2.67,;8.71,1.33,;9.11,-.15,;10.2,.94,;7.17,1.33,;6.4,2.67,;6.4,,;4.86,,;4.09,1.33,;2.55,1.33,;1.78,,;.24,,;-.53,-1.33,;-2.07,-1.33,;-2.84,-2.67,;-4.38,-2.67,;-5.15,-1.33,;-4.38,,;-2.84,,;-6.69,-1.33,;-7.59,-2.58,;-9.06,-2.1,;-9.06,-.56,;-10.2,.47,;-9.88,1.97,;-8.42,2.45,;-7.27,1.42,;-7.59,-.09,;2.55,-1.33,;4.09,-1.33,)| Show InChI InChI=1S/C25H34N2O3/c28-24(25(29)12-13-25)26-20-7-5-18(6-8-20)9-14-27-15-10-19(11-16-27)22-17-30-23-4-2-1-3-21(22)23/h1-4,17-20,29H,5-16H2,(H,26,28)/t18-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1...				US Patent US8921397 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31C3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM141780 (US8921397, 22) Show SMILES OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:10.11,wD:7.7,(9.48,2.67,;8.71,1.33,;9.11,-.15,;10.2,.94,;7.17,1.33,;6.4,2.67,;6.4,,;4.86,,;4.09,1.33,;2.55,1.33,;1.78,,;.24,,;-.53,-1.33,;-2.07,-1.33,;-2.84,-2.67,;-4.38,-2.67,;-5.15,-1.33,;-4.38,,;-2.84,,;-6.69,-1.33,;-7.59,-2.58,;-9.06,-2.1,;-9.06,-.56,;-10.2,.47,;-9.88,1.97,;-8.42,2.45,;-7.27,1.42,;-7.59,-.09,;2.55,-1.33,;4.09,-1.33,)| Show InChI InChI=1S/C25H34N2O3/c28-24(25(29)12-13-25)26-20-7-5-18(6-8-20)9-14-27-15-10-19(11-16-27)22-17-30-23-4-2-1-3-21(22)23/h1-4,17-20,29H,5-16H2,(H,26,28)/t18-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	47.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1...				US Patent US8921397 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31C3
					More data for this Ligand-Target Pair