BDBM50083550 CHEMBL3423407

SMILES: [H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=VGAFJYDHFQEKRB-CNRPLSBTSA-N

Data: 5 Kd

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 5 hits for monomerid = 50083550   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50083550 (CHEMBL3423407) Show SMILES [H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/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	190	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...				Eur J Med Chem 97: 173-80 (2015) Article DOI: 10.1016/j.ejmech.2015.04.052 BindingDB Entry DOI: 10.7270/Q2K64KST
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50083550 (CHEMBL3423407) Show SMILES [H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation countin...				Eur J Med Chem 97: 173-80 (2015) Article DOI: 10.1016/j.ejmech.2015.04.052 BindingDB Entry DOI: 10.7270/Q2K64KST
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50083550 (CHEMBL3423407) Show SMILES [H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counti...				Eur J Med Chem 97: 173-80 (2015) Article DOI: 10.1016/j.ejmech.2015.04.052 BindingDB Entry DOI: 10.7270/Q2K64KST
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50083550 (CHEMBL3423407) Show SMILES [H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting an...				Eur J Med Chem 97: 173-80 (2015) Article DOI: 10.1016/j.ejmech.2015.04.052 BindingDB Entry DOI: 10.7270/Q2K64KST
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083550 (CHEMBL3423407) Show SMILES [H][C@]12CC[C@@H](CN1CCc1c2[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/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	8.00E+3	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...				Eur J Med Chem 97: 173-80 (2015) Article DOI: 10.1016/j.ejmech.2015.04.052 BindingDB Entry DOI: 10.7270/Q2K64KST
					More data for this Ligand-Target Pair