Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50017570   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
CREB-binding protein (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01864 BindingDB Entry DOI: 10.7270/Q2VT1X5F
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50602864 (CCS-1477 | CCS1477 | Ccs 1477 | Ccs1477 | INOBRODI...) Show SMILES CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |r,wU:24.27,5.8,wD:2.1,(-5.83,-7.85,;-6.97,-6.82,;-6.65,-5.31,;-5.19,-4.84,;-4.87,-3.33,;-6.01,-2.3,;-7.48,-2.77,;-7.8,-4.28,;-5.69,-.79,;-4.29,-.17,;-4.45,1.37,;-5.95,1.69,;-6.72,3.02,;-8.26,3.02,;-9.03,1.69,;-8.26,.35,;-6.72,.35,;-9.03,4.35,;-8.41,5.76,;-6.9,6.08,;-9.55,6.79,;-10.89,6.02,;-10.57,4.51,;-11.6,3.37,;-2.95,-.94,;-2.95,-2.48,;-1.62,-3.25,;-.29,-2.48,;-.29,-.94,;1.05,-.17,;-1.62,-.17,;-1.62,1.37,;-.29,2.14,;-.29,3.68,;-1.62,4.45,;-1.62,5.99,;-2.95,3.68,;-4.29,4.45,;-2.95,2.14,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01864 BindingDB Entry DOI: 10.7270/Q2VT1X5F
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50311385 (CHEMBL4171749) Show SMILES COc1ccc2n(cc(C(=O)Nc3cc(cc(-c4cnn(C)c4)c3F)C(O)=O)c2c1)C(C)=O Show InChI InChI=1S/C23H19FN4O5/c1-12(29)28-11-18(17-8-15(33-3)4-5-20(17)28)22(30)26-19-7-13(23(31)32)6-16(21(19)24)14-9-25-27(2)10-14/h4-11H,1-3H3,(H,26,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01864 BindingDB Entry DOI: 10.7270/Q2VT1X5F
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50602884 (CHEMBL5179520) Show SMILES COc1ccn2c(cc(C(=O)Nc3cc(cc(-c4cnn(c4)C4CC4)c3F)C(C)O)c2c1)C(C)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01864 BindingDB Entry DOI: 10.7270/Q2VT1X5F
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50602870 (CHEMBL5192405) Show SMILES CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(O)ccn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01864 BindingDB Entry DOI: 10.7270/Q2VT1X5F
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50602873 (CHEMBL5191045) Show SMILES CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(N)ccn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01864 BindingDB Entry DOI: 10.7270/Q2VT1X5F
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50602865 (CHEMBL5205974) Show SMILES COc1ccn2c(cc(C(=O)Nc3cc(cc(-c4cnn(C)c4)c3F)C(O)=O)c2c1)C(C)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01864 BindingDB Entry DOI: 10.7270/Q2VT1X5F
					More data for this Ligand-Target Pair