BDBM50540518 CHEMBL4646338

SMILES: C[C@@H](C=C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O

InChI Key: InChIKey=UXKWIGGELSTRMR-INIZCTEOSA-N

Data: 3 KI

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 3 hits for monomerid = 50540518   

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 9 (Homo sapiens (Human))	BDBM50540518 (CHEMBL4646338) Show SMILES C[C@@H](C=C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O |r| Show InChI InChI=1S/C21H29N5O/c1-5-16(2)20-18(15-23-25(4)21(20)27)22-14-17-8-6-7-9-19(17)26-12-10-24(3)11-13-26/h5-9,15-16,22H,1,10-14H2,2-4H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay				J Med Chem 63: 5816-5840 (2020)
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50540518 (CHEMBL4646338) Show SMILES C[C@@H](C=C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O |r| Show InChI InChI=1S/C21H29N5O/c1-5-16(2)20-18(15-23-25(4)21(20)27)22-14-17-8-6-7-9-19(17)26-12-10-24(3)11-13-26/h5-9,15-16,22H,1,10-14H2,2-4H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human partial length BRD4 (1) (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay				J Med Chem 63: 5816-5840 (2020)
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50540518 (CHEMBL4646338) Show SMILES C[C@@H](C=C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O |r| Show InChI InChI=1S/C21H29N5O/c1-5-16(2)20-18(15-23-25(4)21(20)27)22-14-17-8-6-7-9-19(17)26-12-10-24(3)11-13-26/h5-9,15-16,22H,1,10-14H2,2-4H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOscan assay				J Med Chem 63: 5816-5840 (2020)
					More data for this Ligand-Target Pair