BDBM15621 N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide::N-benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide::Pyrrole Carboxamide Analog 5g::erk000092

SMILES: Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccccc1

InChI Key: InChIKey=PDJZASCRQRBYQS-UHFFFAOYSA-N

Data: 3 KI

PDB links: 2 PDB IDs match this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 3 hits for monomerid = 15621   

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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15621 (N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSAR					Assay Description Assay 1 ...				CSAR 1: (2012)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15621 (N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	86	-9.79	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by ERK2 was converted to ATP by pyruvate kinase with the production of pyruvate fr...				J Med Chem 50: 1280-7 (2007) Article DOI: 10.1021/jm061381f BindingDB Entry DOI: 10.7270/Q2BR8QFV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15621 (N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr...				J Med Chem 50: 1280-7 (2007) Article DOI: 10.1021/jm061381f BindingDB Entry DOI: 10.7270/Q2BR8QFV
					More data for this Ligand-Target Pair				3D Structure (crystal)