BDBM17297 4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)amino]benzene-1-carboximidamide::BIBR1109

SMILES: Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1

InChI Key: InChIKey=IRKPNOLLMNHSOU-UHFFFAOYSA-N

Data: 8 KI

PDB links: 3 PDB IDs match this monomer.

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 8 hits for monomerid = 17297   

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))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	40	-10.5	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin (Bos taurus (bovine))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	67	-10.2	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	780	-8.66	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	4.10E+3	-7.64	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	9.20E+3	-7.14	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.60E+4	-6.80	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>4.00E+4	>-6.24	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM17297 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...) Show SMILES Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>5.00E+4	>-6.10	n/a	n/a	n/a	n/a	n/a	8.0	37
Boehringer Ingelheim Pharma KG					Assay Description For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...				Structure 9: 29-37 (2001) Article DOI: 10.1016/s0969-2126(00)00551-7 BindingDB Entry DOI: 10.7270/Q2028PTC
					More data for this Ligand-Target Pair