BDBM12719 1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl}-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide::pyrazolo[4,3-d]pyrimidinone 39a

SMILES: COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12

InChI Key: InChIKey=YJVFQVDWQUJXRE-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 12719   

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
Coagulation factor X (Homo sapiens (Human))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12719 (1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12 Show InChI InChI=1S/C30H28N6O3/c1-39-24-14-12-23(13-15-24)36-28-26(27(33-36)29(31)37)32-19-35(30(28)38)22-10-8-20(9-11-22)25-7-3-2-6-21(25)18-34-16-4-5-17-34/h2-3,6-15,19H,4-5,16-18H2,1H3,(H2,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 3755-60 (2006) Article DOI: 10.1016/j.bmcl.2006.04.044 BindingDB Entry DOI: 10.7270/Q2319T41
					More data for this Ligand-Target Pair