Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50016356   

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
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50553869 (CHEMBL4764965) Show SMILES C=CC(=O)Nc1cc(cc(c1)-c1n[nH]c2ccccc12)C(=O)NCC#C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594444 (CHEMBL5174214) Show SMILES Nc1ncnc2n(nc(-c3cn(CC(F)(F)c4ccc(Cl)cc4)nn3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594445 (CHEMBL5195838) Show SMILES Nc1ncnc2n(nc(-c3cn(CC(F)(F)c4ccccc4)nn3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594446 (CHEMBL5169325) Show SMILES CO[C@@H]1CCCC[C@H]1n1cc(CNC(=O)c2cc(NC(=O)C=C)cc(c2)-c2n[nH]c3ccccc23)nn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50258966 (CHEMBL4071151) Show SMILES Nc1ncnc2n(nc(C#C)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C15H16N6O/c1-3-11-13-14(16)17-9-18-15(13)21(19-11)10-6-5-7-20(8-10)12(22)4-2/h1,4,9-10H,2,5-8H2,(H2,16,17,18)/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594445 (CHEMBL5195838) Show SMILES Nc1ncnc2n(nc(-c3cn(CC(F)(F)c4ccccc4)nn3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	265	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594446 (CHEMBL5169325) Show SMILES CO[C@@H]1CCCC[C@H]1n1cc(CNC(=O)c2cc(NC(=O)C=C)cc(c2)-c2n[nH]c3ccccc23)nn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594450 (CHEMBL5184750) Show SMILES Cc1ccccc1-n1cc(CNC(=O)c2cc(NC(=O)C=C)cc(c2)-c2n[nH]c3ccccc23)nn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594451 (CHEMBL5181040) Show SMILES C=CC(=O)Nc1cc(cc(c1)-c1n[nH]c2ccccc12)C(=O)NCc1cn(nn1)C1CCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594449 (CHEMBL5200766) Show SMILES Nc1ncnc2n(nc(-c3cn(C[C@H](O)c4ccc(Br)cc4)nn3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>500	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594448 (CHEMBL5203494) Show SMILES Nc1ncnc2n(nc(-c3cn(nn3)-c3ccc(Cl)cc3O)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50553869 (CHEMBL4764965) Show SMILES C=CC(=O)Nc1cc(cc(c1)-c1n[nH]c2ccccc12)C(=O)NCC#C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594447 (CHEMBL5178181) Show SMILES Nc1ncnc2n(nc(-c3cn(nn3)-c3cc(Br)ccc3O)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>900	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50258966 (CHEMBL4071151) Show SMILES Nc1ncnc2n(nc(C#C)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C15H16N6O/c1-3-11-13-14(16)17-9-18-15(13)21(19-11)10-6-5-7-20(8-10)12(22)4-2/h1,4,9-10H,2,5-8H2,(H2,16,17,18)/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594444 (CHEMBL5174214) Show SMILES Nc1ncnc2n(nc(-c3cn(CC(F)(F)c4ccc(Cl)cc4)nn3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair