BDBM50088578 CHEMBL3577342

SMILES: CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1

InChI Key: InChIKey=XPMUUENUQYZASR-HHHXNRCGSA-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 = 50088578   

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))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor transfected in CHO cells after 1 hr by scintillation counting analysis				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor transfected in HEK293 cells after 1 hr by scintillation counting analysis				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor transfected in HEK293 cells by scintillation counting analysis				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor transfected in HEK293 cells after 1 hr by scintillation counting analysis				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/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	380	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Agonist activity at ARMS2-PK2-tagged human dopamine D2S receptor expressed in HEK293 cells co-expressing (EA)-tagged beta arrestin fusion protein ass...				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/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	110	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Intrinsic activity at human dopamine D2S receptor expressed in HEK293 cells co-transfected with Galpha0i assessed as [35S]GTPgammaS binding after 30 ...				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/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	660	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Intrinsic activity at human dopamine D2S receptor expressed in HEK293 cells co-transfected with Galphai2 assessed as [35S]GTPgammaS binding after 30 ...				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/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	52	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Intrinsic activity at human dopamine D2L receptor expressed in HEK293 cells co-transfected with Galpha0i assessed as [35S]GTPgammaS binding after 30 ...				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50088578 (CHEMBL3577342) Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34| Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m1/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	28	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Intrinsic activity at human dopamine D2L receptor expressed in HEK293 cells co-transfected with Galphai2 assessed as [35S]GTPgammaS binding after 30 ...				J Med Chem 58: 2703-17 (2015) Article DOI: 10.1021/jm501889t BindingDB Entry DOI: 10.7270/Q2R49SHG
					More data for this Ligand-Target Pair