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SMILES: C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O

InChI Key: InChIKey=FHRKRGDHMCCDEO-LLVKDONJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 394530   

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
Transcription activator BRG1 [1448-1575] (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	34.6	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research					Assay Description His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgslvpr\gsAEKLSPNPP NLTKKMKKIVDAVIKYKDSSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNH KYRSLNDLEKDVMLLCQNA...				J Med Chem 52: 2255-64 (2009) BindingDB Entry DOI: 10.7270/Q26112NJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Probable global transcription activator SNF2L2 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Probable global transcription activator SNF2L2 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens)	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM394530 ((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131) Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r| Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00662 BindingDB Entry DOI: 10.7270/Q2TB1BX4
					More data for this Ligand-Target Pair