BDBM318839 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-5,6-dihydropyrrolo[3,4-c]pyrazol-4(1H)-one::US9624247, Example 1

SMILES: CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1

InChI Key: InChIKey=KVTLTFKBEFZOGC-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 318839   

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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM318839 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |c:2| Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9624247 (2017) BindingDB Entry DOI: 10.7270/Q28S4S02
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM318839 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |c:2| Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...				US Patent US9624247 (2017) BindingDB Entry DOI: 10.7270/Q28S4S02
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM318839 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |c:2| Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9624247 (2017) BindingDB Entry DOI: 10.7270/Q28S4S02
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM318839 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |c:2| Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9624247 (2017) BindingDB Entry DOI: 10.7270/Q28S4S02
					More data for this Ligand-Target Pair