BDBM31824 1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)urea, 1a::BIRB-796 derivative, 15::pyrazolourea, 1a

SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1

InChI Key: InChIKey=OOEIYCDNOQOFJF-UHFFFAOYSA-N

Data: 8 IC50  5 Kd

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 13 hits for monomerid = 31824   

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
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair
Src Mutant (T338M) (Gallus gallus (Chicken))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society					Assay Description Tyrosine kinase inhibition assay using wild type cSrc measured by a fluorescence-labeled approach.				Nat Chem Biol 5: 394-6 (2009) Article DOI: 10.1038/nchembio.162 BindingDB Entry DOI: 10.7270/Q20V8B46
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society					Assay Description Serine/threonine kinase inhibition assay using MAP p38 alpha fluorescence-labeled approach.				Nat Chem Biol 5: 394-6 (2009) Article DOI: 10.1038/nchembio.162 BindingDB Entry DOI: 10.7270/Q20V8B46
					More data for this Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3) (Ustilago maydis (Smut fungus))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description Inhibition of UmGSK3 by kinase inhibitors.				ACS Chem Biol 7: 1257-67 (2012) Article DOI: 10.1021/cb300128b BindingDB Entry DOI: 10.7270/Q29S1PNH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description Inhibition of UmGSK3 by kinase inhibitors.				ACS Chem Biol 7: 1257-67 (2012) Article DOI: 10.1021/cb300128b BindingDB Entry DOI: 10.7270/Q29S1PNH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	558	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Binding affinity to human acrylodan-labeled N-terminal His-tagged DDR2 (558 to 855 aa) by fluorescence spectroscopy				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Binding affinity to human acrylodan-labeled N-terminal His-tagged DDR2 (558 to 855 aa) by FLiK assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Binding affinity to p38alpha				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay				J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Binding affinity to human DDR2 by Ambit assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair