BDBM318853 (R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxvethyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4(1H)-one::US9624247, Example 15

SMILES: COCCn1nc(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1

InChI Key: InChIKey=SCOGYYPZUPWMLU-JOCHJYFZSA-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 = 318853   

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))	BDBM318853 ((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...) Show SMILES COCCn1nc(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r| Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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))	BDBM318853 ((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...) Show SMILES COCCn1nc(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r| Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10E+3	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))	BDBM318853 ((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...) Show SMILES COCCn1nc(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r| Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM318853 ((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...) Show SMILES COCCn1nc(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r| Show InChI InChI=1S/C25H25ClN6O2/c1-14-12-19(13-30-15(2)27-28-24(14)30)32-22(17-6-8-18(26)9-7-17)23-20(25(32)33)21(16-4-5-16)29-31(23)10-11-34-3/h6-9,12-13,16,22H,4-5,10-11H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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