BDBM318858 (R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-((S)-3,3,3-trifluoro-2-hydroxypropyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4(1H)-one::US9624247, Example 20

SMILES: Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=NCLGWTFZOQZNIS-GHTZIAJQSA-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 = 318858   

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))	BDBM318858 ((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...) Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	BDBM318858 ((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...) Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21+/m0/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	7.90E+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))	BDBM318858 ((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...) Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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))	BDBM318858 ((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...) Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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